data_1vdi_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 1vdi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 78.4 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.23 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.0 mmt -73.76 -55.47 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -48.24 -31.84 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.1 -51.68 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -57.35 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.75 -51.13 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 138' ' ' ALA . 37.9 t-20 -39.29 -56.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.487 ' CA ' ' HG ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.58 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -39.8 113.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -138.94 120.12 14.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 11.1 pttm -147.99 162.16 39.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 0.4 OUTLIER -133.07 -4.01 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 150' ' ' LYS . 2.3 m-20 -168.91 135.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -36.67 -45.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.446 ' OE1' ' CD ' ' A' ' 150' ' ' LYS . 2.3 pt-20 -73.77 -37.03 65.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -103.16 101.88 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.541 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -141.95 163.58 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 108.42 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -94.63 138.88 31.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -132.4 -177.97 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -34.83 -47.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.47 ' N ' ' CD ' ' A' ' 155' ' ' ARG . 5.3 t0 -71.44 45.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.639 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 0.9 OUTLIER -67.32 -77.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.639 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 53.01 -142.25 27.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.7 m-20 -65.75 -42.63 90.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.213 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.58 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -40.31 -55.64 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.553 ' CB ' ' CG1' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -60.03 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -28.84 -46.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 m120 -63.12 -83.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.522 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -45.0 -54.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -40.67 -52.25 2.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.177 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.76 -51.6 67.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.77 74.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 148' ' ' THR . 88.6 p -168.41 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . . . . . . 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 133' ' ' ASN . 95.4 t . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -35.42 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -75.02 -56.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -48.74 -28.16 3.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.175 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 tp -78.03 -52.56 8.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 4.4 mtt180 -44.48 -55.35 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 155' ' ' ARG . . . -67.47 -51.36 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.9 t-20 -36.23 -57.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.495 ' CA ' HD22 ' A' ' 154' ' ' LEU . 19.8 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.668 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -43.44 114.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.617 1.198 . . . . 0.0 109.367 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -110.72 66.32 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 3.2 tttt -72.72 119.27 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.4 tm-20 -111.19 10.88 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 3.9 m-20 157.51 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.4 t -152.62 -51.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.425 ' CG ' ' HD3' ' A' ' 150' ' ' LYS . 0.1 OUTLIER -95.89 11.15 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.425 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -131.06 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -108.92 104.72 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.14 110.86 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.506 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 2.1 p-10 -98.65 136.18 39.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -153.57 -164.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.541 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -25.53 138.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 26.2 t0 84.75 -5.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.677 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -37.9 -81.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 34.38 -111.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -69.29 -61.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.677 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -38.46 -32.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.074 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -73.82 -77.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.8 -37.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 161' ' ' ARG . 37.8 m-20 -61.8 -74.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 168' ' ' SER . 1.1 pp -58.84 -46.53 91.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.2 tp10 -42.0 -47.12 4.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 167' ' ' LYS . 2.0 mt-10 -91.86 -77.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 166' ' ' GLU . 6.7 ptpt -38.9 -41.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -108.95 65.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.082 . . . . 0.0 111.002 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 134' ' ' MET . 59.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -38.64 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 132' ' ' VAL . 1.8 mtt -75.91 -54.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 0.4 OUTLIER -48.27 -38.21 18.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.9 tp -70.61 -54.89 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -43.62 -69.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.445 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.9 t30 -40.68 -29.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.569 ' CG2' ' CE2' ' A' ' 160' ' ' TRP . 2.2 t 45.06 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -148.56 136.04 20.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.548 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -160.97 -160.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.25 -30.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 150' ' ' LYS . 11.9 m-20 -153.18 157.09 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -43.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -34.21 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -95.54 86.46 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.548 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.1 mt-10 -143.69 142.29 30.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.52 105.5 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.572 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.6 OUTLIER -111.96 143.94 42.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -124.27 -167.04 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -26.15 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.6 t0 -72.63 1.73 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.605 ' CG2' ' HB3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -30.23 -72.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.476 ' N ' HG21 ' A' ' 157' ' ' VAL . . . 34.54 -137.3 0.24 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -66.93 -47.38 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -36.04 -68.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.037 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.642 ' N ' ' CG ' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -52.77 -72.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.94 -51.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 69.8 m-20 -63.08 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 161' ' ' ARG . 1.7 pp -41.53 -55.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -39.36 -53.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 167' ' ' LYS . 1.7 mm-40 -73.58 -65.33 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 166' ' ' GLU . 10.5 mttt -38.49 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.2 -63.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ASN . 56.7 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.35 -35.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.21 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.85 -54.07 7.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.7 t0 -47.97 -34.47 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.37 -54.48 7.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 8.1 mmt180 -39.42 -60.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.51 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.7 -56.37 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 138' ' ' ALA . 20.2 t30 -32.42 -40.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.515 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 1.2 pt20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.707 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -164.0 122.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -125.58 88.66 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.506 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.7 pttm -140.52 153.34 46.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 5.1 mt-10 -138.77 2.31 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 148' ' ' THR . 0.8 OUTLIER -170.23 134.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 147' ' ' ASP . 1.5 t -27.6 -49.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -72.23 -55.24 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -71.03 80.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.506 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.7 tt0 -124.01 125.54 44.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.64 109.68 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -98.24 114.2 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -95.46 174.43 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -38.38 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.7 t70 75.0 2.01 3.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.575 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 1.7 m -26.32 -55.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.537 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 40.38 -146.63 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.92 -36.29 83.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.707 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -42.42 -61.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 107.967 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.554 ' N ' ' CG ' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -65.84 -68.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.553 ' C ' ' O ' ' A' ' 161' ' ' ARG . 11.9 tptt -28.04 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 60.1 m-20 -64.21 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.621 ' CD1' ' CH2' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -47.26 -53.45 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -41.82 -49.77 4.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.363 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.13 -73.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' GLY . 3.8 ptpt -49.25 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.2 m -65.37 74.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 133' ' ' ASN . 74.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -32.65 -40.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtm -68.94 -60.43 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 15.6 t0 -51.29 -24.56 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -70.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -58.46 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 142' ' ' GLN . . . -52.98 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 13.9 t30 -41.55 -31.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 138' ' ' ALA . 2.0 mp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.615 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -150.43 121.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.45 78.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.521 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.1 OUTLIER -137.25 155.39 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.2 OUTLIER -154.31 18.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.0 m-20 153.89 162.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -37.39 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -89.58 25.08 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -163.3 86.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.521 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -141.89 111.52 6.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -115.82 103.51 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.52 ' OD1' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -100.44 123.51 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -122.35 177.36 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -31.53 140.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 157' ' ' VAL . 6.0 t70 84.08 8.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.553 ' HB ' ' CB ' ' A' ' 161' ' ' ARG . 0.7 OUTLIER -30.41 -53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.547 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 41.74 -151.16 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.9 m-20 -60.48 -38.09 83.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.615 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -41.33 -62.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -63.57 -70.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.8 ttmt -25.24 -54.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 165' ' ' GLU . 66.0 m-20 -54.7 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.2 pp -74.29 7.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -92.73 -38.27 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -47.05 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 2.0 ptpt -90.15 61.72 5.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.9 p -151.41 -73.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 133' ' ' ASN . 15.0 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.7 -61.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 15.1 mtt -54.2 -47.44 72.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 132' ' ' VAL . 45.7 t0 -51.89 -36.26 48.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.71 -51.93 14.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.7 mtt85 -48.79 -58.56 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.21 -56.73 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.5 t-20 -33.77 -47.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 142' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.629 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 43.22 94.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 73.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -115.94 154.61 29.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 10.9 tt0 -144.39 11.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.2 m-20 153.96 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -69.65 58.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER 177.67 74.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.1 tt0 -140.04 109.19 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -94.69 105.36 17.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -105.09 118.53 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.446 ' C ' HD21 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -109.41 179.4 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -35.82 -48.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 12.7 t0 -69.62 56.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.599 ' CG1' ' CB ' ' A' ' 161' ' ' ARG . 1.1 t -85.86 -63.92 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.499 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 39.94 -140.2 0.94 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 160' ' ' TRP . 4.5 t70 -63.52 -49.84 71.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.629 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.07 -47.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.046 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.599 ' CB ' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -65.66 -67.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.3 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.3 m-20 -66.79 -79.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.7 OUTLIER -45.09 -54.45 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -44.5 -49.05 10.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 167' ' ' LYS . 3.6 mt-10 -68.35 -78.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 168' ' ' SER . 12.2 ptpt -38.81 -56.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 5.7 t -61.21 -55.32 33.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.929 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 74.7 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -38.31 -31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' C ' ' A' ' 132' ' ' VAL . 2.3 mmt -75.77 -55.69 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 4.7 t0 -46.04 -46.81 16.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.66 -61.49 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.8 -76.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -43.4 -63.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' ALA . 14.1 t30 -36.56 -35.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 138' ' ' ALA . 2.2 mp . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.504 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 2.0 m 59.05 113.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 151' ' ' GLU . 22.4 mmtt -122.93 135.42 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -170.96 140.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -124.3 2.95 8.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -75.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -168.36 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -77.59 1.82 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -134.28 94.72 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.575 ' HB3' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -157.37 154.19 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.79 112.95 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.473 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -94.08 130.22 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -103.73 -178.39 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -50.28 -21.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.2 t0 -78.13 10.37 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.645 ' CG2' ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -35.97 -75.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.479 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 42.61 -132.95 4.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.389 1.055 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 8.2 m-20 -70.36 -47.08 62.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.601 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.3 -53.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.645 ' CB ' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -62.36 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.6 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.2 tppt? -23.31 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 73.7 m-20 -61.36 -65.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.1 pp -79.85 24.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.5 tm-20 -111.89 -40.6 4.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.46 ' CG ' ' OE1' ' A' ' 165' ' ' GLU . 1.3 mm-40 -105.17 -35.18 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -90.18 -7.31 53.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.444 ' OG ' ' CE ' ' A' ' 167' ' ' LYS . 11.3 m -138.48 71.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.923 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.9 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -36.48 -33.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -69.0 -60.03 2.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 1.2 m-20 -57.22 -21.93 37.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -71.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -46.43 -57.13 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.05 -59.47 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.5 t30 -44.57 -32.39 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 142' ' ' GLN . 4.1 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.587 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 42.26 93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 144.1 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -168.1 163.33 13.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -145.95 15.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 167.57 -158.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.8 t -89.86 -41.71 11.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.12 27.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.75 62.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.505 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 3.0 tm-20 -118.88 139.23 51.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -127.1 97.93 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -106.17 132.01 52.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -117.21 -176.45 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -20.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 110.376 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' VAL . 9.3 t70 -78.23 10.27 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.616 ' CG2' ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -38.48 -76.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.523 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 46.67 -130.14 11.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 160' ' ' TRP . 12.0 p-10 -75.46 -45.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.587 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -39.78 -52.47 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -66.15 -58.67 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -29.01 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.0 m-80 -80.06 -61.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.563 ' O ' ' CD1' ' A' ' 164' ' ' ILE . 2.3 pp -84.11 31.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -137.47 -38.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 10.5 tp10 -94.12 -29.59 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 168' ' ' SER . 21.1 mttt -88.79 -78.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 167' ' ' LYS . 19.3 m -37.04 -52.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.488 ' N ' ' CG1' ' A' ' 132' ' ' VAL . 4.4 p30 -38.79 -49.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.433 ' CG ' ' OD1' ' A' ' 133' ' ' ASN . 4.5 mtt -67.04 -43.48 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 33.4 t0 -55.04 -37.14 66.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' ASN . 1.3 tm? -70.37 -68.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -39.16 -57.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' GLN . . . -60.3 -38.67 84.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 8.1 t30 -71.46 -6.59 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.567 ' O ' ' CD2' ' A' ' 154' ' ' LEU . 1.4 pt20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.649 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -139.13 109.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.88 78.3 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 132.54 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -155.34 19.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 157.04 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 149' ' ' GLU . 9.0 t -67.58 -52.02 43.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 148' ' ' THR . 10.7 mt-10 -81.22 -20.9 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 150' ' ' LYS . 2.7 mmtt -87.22 101.1 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -169.16 58.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -50.84 117.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.462 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -104.21 132.3 50.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.567 ' CD2' ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -124.98 -178.67 4.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -32.17 -56.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.561 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 20.2 t0 -67.51 59.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.617 ' CG1' ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -86.39 -60.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.467 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 38.67 -140.98 0.51 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -64.09 -49.29 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.649 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.45 -43.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.617 ' CB ' ' CG1' ' A' ' 157' ' ' VAL . 0.2 OUTLIER -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.0 tptt -28.55 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -66.31 -79.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 160' ' ' TRP . 1.2 pp -46.44 -53.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -43.9 -48.93 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -79.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -48.77 -96.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.417 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 4.0 m -63.85 75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.11 -33.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.454 ' CE ' ' CZ ' ' A' ' 137' ' ' ARG . 2.5 mmt -77.02 -53.22 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -46.98 -51.76 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.83 78.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.454 ' CZ ' ' CE ' ' A' ' 134' ' ' MET . 1.9 ttp180 -42.17 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.59 -52.59 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' ALA . 18.8 t30 -37.58 -33.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 138' ' ' ALA . 8.5 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.378 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 142' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.646 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER 48.41 101.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.54 80.43 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 4.1 pttm -131.94 164.7 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.17 20.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.9 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 149' ' ' GLU . 8.6 t -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 148' ' ' THR . 3.9 mt-10 -71.31 -53.99 12.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 89.23 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.501 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.2 tm-20 -150.03 128.97 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -121.05 107.73 12.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -100.65 105.51 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -98.91 -172.57 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.52 ' O ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -45.51 171.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.507 ' O ' ' C ' ' A' ' 157' ' ' VAL . 10.2 t0 64.96 5.29 2.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.608 ' CG2' ' CB ' ' A' ' 161' ' ' ARG . 0.8 OUTLIER -31.15 -61.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.533 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 41.26 -135.63 2.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -67.74 -48.7 65.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.646 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.23 -52.05 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 107.981 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.608 ' CB ' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.73 -66.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.0 tmmt? -30.98 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 161' ' ' ARG . 61.6 m-20 -73.15 -61.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.553 ' CD1' ' C ' ' A' ' 164' ' ' ILE . 1.5 pp -78.06 10.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -117.64 -22.77 7.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.567 1.167 . . . . 0.0 110.251 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -97.19 -56.82 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 10.9 pttt -83.06 -35.33 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -102.51 62.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.409 1.068 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 133' ' ' ASN . 53.7 t . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -35.1 -37.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.0 mmt -74.14 -53.75 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 11.9 t70 -49.27 -40.53 34.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -53.12 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 9.5 mmt180 -43.87 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -58.54 -51.97 67.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.7 t30 -38.08 -35.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.517 ' HA ' ' CD2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.655 ' CB ' ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -173.77 84.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 151' ' ' GLU . 2.9 mtpt -94.38 81.8 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -97.02 132.48 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -154.73 19.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.5 OUTLIER 156.2 -169.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.404 ' CG2' ' N ' ' A' ' 149' ' ' GLU . 7.8 t -67.63 -53.7 25.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 148' ' ' THR . 0.2 OUTLIER -85.62 6.7 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -115.06 103.01 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -172.26 58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -45.7 113.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.487 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 1.5 p-10 -109.31 150.83 27.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.558 ' O ' ' C ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -168.13 -163.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 154' ' ' LEU . 6.7 ptm180 -25.3 137.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 83.44 -5.85 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.672 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -35.53 -77.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 35.86 -118.38 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.27 -58.92 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.672 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -38.9 -31.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 165' ' ' GLU . 6.1 tmm_? -73.84 -70.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.14 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -69.82 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.595 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -81.3 13.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.7 tp10 -106.2 -43.28 4.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.76 -37.91 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -49.01 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -39.26 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 134' ' ' MET . 58.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.0 OUTLIER -37.1 -32.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.7 mmt -70.84 -54.87 9.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 132' ' ' VAL . 2.0 t0 -51.6 -34.73 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.92 -44.22 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -53.46 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.79 -47.02 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.4 t-20 -38.01 -63.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.471 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.668 ' CG1' ' CH2' ' A' ' 160' ' ' TRP . 55.4 t 67.91 119.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -155.34 100.18 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.559 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -130.95 162.44 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -145.53 12.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.6 OUTLIER 157.61 -167.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -48.57 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.507 ' N ' ' OG1' ' A' ' 148' ' ' THR . 2.2 mm-40 -43.52 -63.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.559 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 4.8 tm-20 -156.77 111.47 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -103.65 103.81 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.508 ' OD2' ' CG1' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -99.31 143.89 29.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -162.39 -164.55 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -28.62 135.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 14.3 t0 86.74 -6.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.715 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -36.21 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 36.03 -119.96 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 160' ' ' TRP . 19.3 m-20 -66.89 -59.86 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 0.726 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.715 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -35.62 -36.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 162' ' ' LYS . 61.3 ttt180 -72.62 -77.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.4 tmtt? -31.36 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.8 m-80 -61.62 -75.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.528 ' CD1' ' CD ' ' A' ' 151' ' ' GLU . 1.2 pp -56.07 -48.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -39.86 -50.55 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.14 -75.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -41.17 -59.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.458 ' N ' ' CG ' ' A' ' 167' ' ' LYS . 6.1 m -81.05 56.56 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 134' ' ' MET . 32.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.71 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.2 mmt -71.95 -54.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -51.89 -31.97 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 24.6 tp -72.21 -49.21 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 5.1 mtt180 -48.41 -56.36 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -67.36 -46.9 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.8 t30 -39.31 -41.82 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.536 HG12 ' CG ' ' A' ' 160' ' ' TRP . 58.0 t 67.9 73.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.402 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -136.42 120.28 17.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.532 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 3.0 pttm -147.1 155.91 42.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.33 9.31 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.427 ' HB3' ' CD ' ' A' ' 150' ' ' LYS . 5.1 t0 172.08 -149.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -70.44 -98.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.509 ' N ' ' OG1' ' A' ' 148' ' ' THR . 0.0 OUTLIER -36.66 -49.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.427 ' CD ' ' HB3' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -65.52 74.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.395 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.532 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -138.33 90.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.402 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.98 102.97 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.508 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -107.31 145.44 32.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.738 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -144.16 -172.81 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -41.5 -39.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 157' ' ' VAL . 12.2 t70 -66.15 -2.58 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.738 ' N ' ' O ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -37.98 -71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 42.93 -130.6 5.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.0 p-10 -69.3 -49.49 55.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 0.743 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.631 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -38.45 -59.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.645 ' O ' ' N ' ' A' ' 165' ' ' GLU . 12.7 ttp180 -58.84 -72.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.618 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.4 tptp -22.35 -53.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 77.4 m-20 -54.58 -65.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.561 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.5 pp -76.21 5.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 161' ' ' ARG . 15.4 tp10 -84.95 -44.35 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -102.02 -45.43 5.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -67.32 -9.49 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 87.17 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 135' ' ' ASP . 78.2 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 134' ' ' MET . 0.2 OUTLIER -37.65 -46.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.675 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 15.5 mmt -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -48.5 -49.29 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 0.5 OUTLIER -68.6 -45.58 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 1.6 mmt85 -46.07 -57.48 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -70.48 -43.87 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' LEU . 6.3 t-20 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.505 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 1.8 pp0? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.642 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.7 OUTLIER 52.15 103.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.91 64.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 156.06 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.47 -40.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 149' ' ' GLU . 26.3 m-20 -162.61 158.85 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.517 ' O ' ' CA ' ' A' ' 168' ' ' SER . 0.6 OUTLIER -39.39 -27.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.387 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 147' ' ' ASP . 22.5 pt-20 -104.84 -37.26 7.09 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -82.93 122.34 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 1.9 pp20? 177.47 112.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.86 116.49 24.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.557 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -97.31 104.67 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.393 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -105.19 -176.63 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.462 ' O ' HD21 ' A' ' 154' ' ' LEU . 1.9 ptm180 -36.13 152.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 157' ' ' VAL . 2.5 t70 77.13 1.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.59 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 1.7 m -25.04 -58.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.59 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 38.29 -147.55 0.11 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -34.22 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.642 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -44.71 -50.32 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 107.955 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.594 ' HA ' ' CD1' ' A' ' 164' ' ' ILE . 55.6 ttt180 -68.12 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -38.37 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 12.1 m-80 -70.63 -74.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.594 ' CD1' ' HA ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -79.81 23.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.172 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 161' ' ' ARG . 15.0 tt0 -118.95 -33.42 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -98.79 -37.92 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -95.9 -31.68 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.517 ' CA ' ' O ' ' A' ' 148' ' ' THR . 1.8 m -112.88 48.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 133' ' ' ASN . 76.8 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.674 ' ND2' ' H ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -37.24 -43.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.674 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 84.9 mmm -66.22 -50.53 63.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 13.1 t70 -52.53 -34.5 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 29.8 tp -70.71 -51.07 29.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -48.29 -60.13 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 142' ' ' GLN . . . -61.98 -61.77 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.2 t30 -37.79 -33.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 138' ' ' ALA . 12.9 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.464 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.718 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 1.3 m 61.53 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -129.13 60.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -67.06 143.01 56.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.2 mt-10 -149.04 14.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.1 m-20 151.76 142.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 149' ' ' GLU . 6.7 t -46.39 -32.12 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.523 ' O ' ' CE ' ' A' ' 150' ' ' LYS . 0.5 OUTLIER -105.38 35.22 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -172.54 105.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.16 104.05 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.7 114.28 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -103.23 121.04 41.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.535 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -112.25 -170.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -62.57 139.89 58.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 7.2 t0 84.91 -1.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.665 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 8.6 p -60.19 -59.58 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 161' ' ' ARG . . . 9.66 -85.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 157' ' ' VAL . 37.2 m-20 -35.94 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.718 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 1.7 p-90 -53.17 -23.65 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.721 ' HB3' ' O ' ' A' ' 158' ' ' GLY . 2.0 tmt_? -63.81 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.9 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.5 m120 -52.77 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.622 HG23 ' CE3' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -73.1 -42.03 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -36.79 -45.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.222 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.17 -50.97 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -99.8 65.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 0.9 OUTLIER -176.91 35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.978 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 82.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -38.12 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.01 -54.39 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 39.5 t0 -50.26 -41.16 49.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -66.47 -50.51 63.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 12.8 mmt180 -50.26 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.17 -52.49 58.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.8 t30 -37.5 -50.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 154' ' ' LEU . 7.8 pt20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.633 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -166.83 110.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 145' ' ' LYS . 1.9 mmmt -138.26 149.63 45.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 21.8 pttt -179.3 -169.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -166.95 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 150' ' ' LYS . 14.2 m-20 -152.62 161.76 42.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -43.8 -42.04 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.7 mt-10 -90.62 31.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -164.6 76.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.524 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.1 OUTLIER -127.12 108.33 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -87.99 111.54 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.476 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -114.25 133.18 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.547 ' CD2' ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -109.83 -176.01 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -49.3 -36.97 22.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t0 -62.18 -0.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.596 ' C ' ' O ' ' A' ' 156' ' ' ASP . 1.0 OUTLIER -24.58 -67.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.539 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 34.43 -141.08 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.1 m-20 -68.54 -40.03 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.677 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -41.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.677 ' N ' ' CG ' ' A' ' 160' ' ' TRP . 0.8 OUTLIER -56.28 -65.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.4 tptm -25.22 -48.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.507 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 41.5 m-80 -63.36 -60.94 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 pp -79.8 15.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -103.58 -40.92 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -98.44 -39.61 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -90.11 40.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 148' ' ' THR . 78.1 p -133.5 -62.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.0 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.94 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.1 mmt -73.47 -53.26 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.5 OUTLIER -50.39 -37.97 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -48.19 60.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -48.23 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -58.59 -50.31 74.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.0 t30 -37.59 -42.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.517 ' HA ' ' CD2' ' A' ' 154' ' ' LEU . 4.0 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.7 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -170.58 89.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.81 69.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 141.25 28.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.642 1.214 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.5 mt-10 -150.07 15.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.8 m-20 152.04 -172.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 149' ' ' GLU . 9.2 t -63.73 -53.76 46.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.43 ' N ' ' CG2' ' A' ' 148' ' ' THR . 1.4 mt-10 -73.95 -26.14 60.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 96.9 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.467 ' CD ' ' CD1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -155.38 95.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.442 ' OD2' ' NE ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -108.35 144.78 35.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.517 ' CD2' ' HA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -160.48 -165.6 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.514 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -30.02 143.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 81.54 -6.72 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.735 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -39.36 -75.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 34.42 -105.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -78.74 -61.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.735 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -33.55 -44.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.969 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 164' ' ' ILE . 1.3 ttt180 -70.88 -67.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.68 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.7 m120 -65.4 -75.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.598 HD12 ' CZ2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -49.88 -52.08 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -42.48 -49.33 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.452 ' C ' ' N ' ' A' ' 168' ' ' SER . 14.5 tt0 -70.51 -76.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.19 -31.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 23.0 t -80.66 -58.0 3.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' ASP . 63.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 134' ' ' MET . 3.3 p30 -37.6 -49.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 135' ' ' ASP . 2.6 ppp? -69.93 -40.36 75.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.3 t70 -55.99 -36.33 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -48.8 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -47.95 -60.02 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.16 -52.27 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 138' ' ' ALA . 38.3 t-20 -38.41 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.622 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 50.4 t 53.57 78.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.479 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -122.59 91.21 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.443 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -105.43 158.09 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -174.9 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 150' ' ' LYS . 53.6 m-20 -161.36 158.27 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -37.54 -43.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.18 -37.14 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.8 OUTLIER -88.55 86.94 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.443 ' CG ' ' HG3' ' A' ' 145' ' ' LYS . 6.9 tm-20 -162.49 107.92 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.479 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -115.3 116.26 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.565 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -113.13 128.69 56.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -107.25 -175.27 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.05 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.421 ' CD ' ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -47.65 -21.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 157' ' ' VAL . 14.0 t70 -77.39 10.29 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.514 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.2 OUTLIER -34.48 -71.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 43.4 -141.47 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.25 -31.54 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.678 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -48.26 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 107.938 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.68 ' O ' ' N ' ' A' ' 165' ' ' GLU . 1.9 ttt180 -57.83 -62.12 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 161' ' ' ARG . 6.4 tptt -23.71 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 165' ' ' GLU . 50.9 m-20 -60.73 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.9 pp -78.32 17.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.68 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.2 tt0 -101.75 -41.3 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -97.36 -40.39 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -79.75 -25.93 40.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 3.2 m -130.45 68.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.2 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.87 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtt -74.63 -54.79 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' VAL . 24.0 t0 -48.41 -35.28 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.2 tp -72.57 -51.78 18.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -45.13 -63.76 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.427 1.08 . . . . 0.0 110.348 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.27 -53.41 58.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.1 t30 -36.08 -39.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.494 ' HA ' HD21 ' A' ' 154' ' ' LEU . 1.8 pt20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.612 HG23 ' CD1' ' A' ' 160' ' ' TRP . 14.1 t 65.69 77.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.2 130.91 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -148.83 124.18 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.25 14.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.458 ' O ' ' NZ ' ' A' ' 145' ' ' LYS . 1.2 t0 169.67 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.0 t -96.17 -28.77 14.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.09 -18.54 13.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 107.02 19.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.32 -179.09 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.434 ' O ' HD11 ' A' ' 154' ' ' LEU . 0.7 OUTLIER -163.71 112.96 1.25 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.463 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -93.45 140.52 29.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -153.47 -170.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.685 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -38.42 94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.685 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 8.2 t70 139.34 -9.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.592 ' C ' ' O ' ' A' ' 156' ' ' ASP . 1.1 m -24.66 -63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.587 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 32.26 -134.49 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.91 -39.4 72.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.681 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -43.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.681 ' N ' ' CG ' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -53.68 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.35 -54.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 165' ' ' GLU . 60.2 m-20 -55.67 -58.63 7.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.9 pp -81.87 17.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -103.41 -39.77 6.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -29.14 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -19.85 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.9 m -135.57 45.57 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 98.2 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -35.91 -34.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 8.9 mtt -69.11 -59.09 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 27.2 t0 -58.49 -19.55 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.21 -65.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -49.56 -55.97 11.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -53.73 -59.79 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.39 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.4 t30 -48.52 -29.37 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 160' ' ' TRP . 49.1 t 61.94 130.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 109.373 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -145.84 81.14 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.511 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.1 OUTLIER -118.08 145.94 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.2 OUTLIER -115.61 -33.1 5.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.61 -80.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.599 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.2 t -120.44 136.49 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.434 ' C ' ' HD3' ' A' ' 150' ' ' LYS . 4.0 mm-40 70.18 5.14 5.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.599 ' CD ' ' O ' ' A' ' 148' ' ' THR . 0.0 OUTLIER -137.67 95.63 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.511 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -151.79 74.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 143' ' ' VAL . 1.8 ttmt -67.94 109.46 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.487 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -106.79 129.03 54.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -116.07 -173.19 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -49.57 -37.1 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 157' ' ' VAL . 4.0 t70 -62.32 -5.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.652 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.2 t -31.4 -69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.652 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 34.94 -134.2 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -61.85 -56.63 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.651 ' CE2' ' CG2' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -33.88 -40.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.972 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.599 ' CB ' HG11 ' A' ' 157' ' ' VAL . 1.3 tmm_? -66.31 -72.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.02 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.6 m-20 -62.78 -79.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.575 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -49.02 -53.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.11 -53.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.3 -53.84 46.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 84.74 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.7 t -170.52 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.461 ' CE ' ' HG3' ' A' ' 134' ' ' MET . 5.4 mttp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 78.4 t -66.38 -64.23 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.23 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.461 ' HG3' ' CE ' ' A' ' 131' ' ' LYS . 7.0 mmt -73.76 -55.47 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -48.24 -31.84 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.1 -51.68 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -57.35 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.75 -51.13 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 138' ' ' ALA . 37.9 t-20 -39.29 -56.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 141' ' ' LYS . 0.2 OUTLIER -69.44 -64.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 142' ' ' GLN . 3.9 tptt -53.24 -105.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.487 ' CA ' ' HG ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER 73.36 161.81 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.58 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -39.8 113.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -138.94 120.12 14.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 11.1 pttm -147.99 162.16 39.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 0.4 OUTLIER -133.07 -4.01 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 150' ' ' LYS . 2.3 m-20 -168.91 135.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -36.67 -45.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.446 ' OE1' ' CD ' ' A' ' 150' ' ' LYS . 2.3 pt-20 -73.77 -37.03 65.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -103.16 101.88 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.541 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -141.95 163.58 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 108.42 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -94.63 138.88 31.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -132.4 -177.97 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -34.83 -47.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.47 ' N ' ' CD ' ' A' ' 155' ' ' ARG . 5.3 t0 -71.44 45.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.639 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 0.9 OUTLIER -67.32 -77.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.639 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 53.01 -142.25 27.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.7 m-20 -65.75 -42.63 90.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.213 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.58 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -40.31 -55.64 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.553 ' CB ' ' CG1' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -60.03 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -28.84 -46.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 m120 -63.12 -83.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.522 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -45.0 -54.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -40.67 -52.25 2.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.177 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.76 -51.6 67.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.77 74.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 148' ' ' THR . 88.6 p -168.41 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -92.53 -55.72 1.64 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.0 ttt -54.73 -26.22 32.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.96 97.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 0.747 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -49.16 -43.9 42.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 174' ' ' LYS . 0.0 OUTLIER -52.38 -26.53 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 6.0 tpp -90.36 -28.05 18.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.683 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -178.4 73.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 174' ' ' LYS . 20.9 tt0 -37.97 -41.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 60.27 75.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 75.42 158.8 7.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.41 154.79 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 133' ' ' ASN . 95.4 t -64.7 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -35.42 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -75.02 -56.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -48.74 -28.16 3.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.175 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 tp -78.03 -52.56 8.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 4.4 mtt180 -44.48 -55.35 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 155' ' ' ARG . . . -67.47 -51.36 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.9 t-20 -36.23 -57.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -40.71 63.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.414 ' CG ' ' HG ' ' A' ' 154' ' ' LEU . 4.1 tptm -79.38 -106.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.495 ' CA ' HD22 ' A' ' 154' ' ' LEU . 19.8 mt-30 66.47 -176.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.668 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -43.44 114.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.617 1.198 . . . . 0.0 109.367 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -110.72 66.32 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 3.2 tttt -72.72 119.27 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.4 tm-20 -111.19 10.88 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 3.9 m-20 157.51 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.4 t -152.62 -51.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.425 ' CG ' ' HD3' ' A' ' 150' ' ' LYS . 0.1 OUTLIER -95.89 11.15 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.425 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -131.06 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -108.92 104.72 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.14 110.86 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.506 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 2.1 p-10 -98.65 136.18 39.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -153.57 -164.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.541 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -25.53 138.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 26.2 t0 84.75 -5.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.677 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -37.9 -81.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 34.38 -111.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -69.29 -61.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.677 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -38.46 -32.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.074 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -73.82 -77.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.8 -37.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 161' ' ' ARG . 37.8 m-20 -61.8 -74.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 168' ' ' SER . 1.1 pp -58.84 -46.53 91.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.2 tp10 -42.0 -47.12 4.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 167' ' ' LYS . 2.0 mt-10 -91.86 -77.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 166' ' ' GLU . 6.7 ptpt -38.9 -41.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -108.95 65.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -165.23 -66.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.082 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -33.97 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.08 -57.19 13.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.47 -51.77 56.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -51.28 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 177' ' ' PHE . 2.1 mmmm -65.13 -52.19 56.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.39 -29.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.411 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.5 OUTLIER -84.5 -43.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.615 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -164.23 71.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -38.55 -53.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 48.69 68.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 162.02 165.28 18.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.074 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -102.8 82.22 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.2 tttp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 134' ' ' MET . 59.9 t -63.44 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -38.64 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 132' ' ' VAL . 1.8 mtt -75.91 -54.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 0.4 OUTLIER -48.27 -38.21 18.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.9 tp -70.61 -54.89 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -43.62 -69.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.445 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.9 t30 -40.68 -29.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -82.59 -54.73 4.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -58.56 -87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.8 OUTLIER 74.14 65.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.569 ' CG2' ' CE2' ' A' ' 160' ' ' TRP . 2.2 t 45.06 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -148.56 136.04 20.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.548 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -160.97 -160.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.25 -30.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 150' ' ' LYS . 11.9 m-20 -153.18 157.09 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.437 ' CG2' ' HA3' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -40.63 -43.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -34.21 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -95.54 86.46 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.548 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.1 mt-10 -143.69 142.29 30.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.52 105.5 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.572 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.6 OUTLIER -111.96 143.94 42.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -124.27 -167.04 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -26.15 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.6 t0 -72.63 1.73 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.605 ' CG2' ' HB3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -30.23 -72.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.476 ' N ' HG21 ' A' ' 157' ' ' VAL . . . 34.54 -137.3 0.24 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -66.93 -47.38 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -36.04 -68.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.037 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.642 ' N ' ' CG ' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -52.77 -72.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.94 -51.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 69.8 m-20 -63.08 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 161' ' ' ARG . 1.7 pp -41.53 -55.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -39.36 -53.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 167' ' ' LYS . 1.7 mm-40 -73.58 -65.33 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 166' ' ' GLU . 10.5 mttt -38.49 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.2 -63.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -43.52 -65.74 1.44 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 26.7 ttm -55.54 -21.94 19.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 0.719 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.23 -51.07 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.437 ' HA3' ' CG2' ' A' ' 148' ' ' THR . . . -61.87 -35.59 91.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 176' ' ' MET . 37.4 mtt180 -74.66 -70.75 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 0.797 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.19 -38.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 174' ' ' LYS . 1.3 tmpt? -72.52 -44.42 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 173' ' ' ARG . 3.7 tpp -45.1 -50.6 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.86 -65.66 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 179' ' ' ALA . 2.3 tt0 74.89 -3.11 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.63 74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -108.51 -82.9 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.68 88.17 7.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 0.718 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ASN . 56.7 t -65.25 -60.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.35 -35.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.21 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.85 -54.07 7.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.7 t0 -47.97 -34.47 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.37 -54.48 7.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 8.1 mmt180 -39.42 -60.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.51 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.7 -56.37 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 138' ' ' ALA . 20.2 t30 -32.42 -40.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -77.48 -55.9 4.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.465 ' CE ' ' HB3' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -126.64 103.91 7.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.515 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 1.2 pt20 -132.02 -43.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.707 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -164.0 122.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -125.58 88.66 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.506 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.7 pttm -140.52 153.34 46.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 5.1 mt-10 -138.77 2.31 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 148' ' ' THR . 0.8 OUTLIER -170.23 134.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 147' ' ' ASP . 1.5 t -27.6 -49.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -72.23 -55.24 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -71.03 80.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.506 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.7 tt0 -124.01 125.54 44.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.64 109.68 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -98.24 114.2 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -95.46 174.43 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -38.38 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.7 t70 75.0 2.01 3.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.575 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 1.7 m -26.32 -55.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.537 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 40.38 -146.63 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.92 -36.29 83.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.707 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -42.42 -61.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 107.967 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.554 ' N ' ' CG ' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -65.84 -68.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.553 ' C ' ' O ' ' A' ' 161' ' ' ARG . 11.9 tptt -28.04 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 60.1 m-20 -64.21 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.621 ' CD1' ' CH2' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -47.26 -53.45 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -41.82 -49.77 4.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.363 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.13 -73.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' GLY . 3.8 ptpt -49.25 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.2 m -65.37 74.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . 172.85 -64.47 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 31.3 ttp -56.42 -32.64 65.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.37 -60.8 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -56.76 -52.06 53.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.441 1.088 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.61 -51.76 5.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 0.749 . . . . 0.0 110.352 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 177' ' ' PHE . 2.0 mmmm -65.49 -52.32 53.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -29.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -84.86 -44.16 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.611 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -163.81 71.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' PHE . 1.3 mp0 -38.44 -51.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 46.98 78.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -118.28 -173.0 15.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.41 94.21 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 133' ' ' ASN . 74.3 t -64.0 -63.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -32.65 -40.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtm -68.94 -60.43 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 15.6 t0 -51.29 -24.56 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -70.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -58.46 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 142' ' ' GLN . . . -52.98 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 13.9 t30 -41.55 -31.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 138' ' ' ALA . 2.0 mp -75.63 -87.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.483 ' CD ' ' HG ' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -60.92 -62.01 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.432 ' H ' ' CG ' ' A' ' 141' ' ' LYS . 0.7 OUTLIER 69.87 -56.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.218 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.615 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -150.43 121.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.45 78.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.521 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.1 OUTLIER -137.25 155.39 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.2 OUTLIER -154.31 18.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.0 m-20 153.89 162.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -37.39 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -89.58 25.08 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -163.3 86.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.521 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -141.89 111.52 6.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -115.82 103.51 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.52 ' OD1' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -100.44 123.51 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -122.35 177.36 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -31.53 140.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 157' ' ' VAL . 6.0 t70 84.08 8.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.553 ' HB ' ' CB ' ' A' ' 161' ' ' ARG . 0.7 OUTLIER -30.41 -53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.547 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 41.74 -151.16 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.9 m-20 -60.48 -38.09 83.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.615 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -41.33 -62.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -63.57 -70.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.8 ttmt -25.24 -54.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 165' ' ' GLU . 66.0 m-20 -54.7 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.2 pp -74.29 7.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -92.73 -38.27 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -47.05 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 2.0 ptpt -90.15 61.72 5.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.9 p -151.41 -73.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -65.28 -58.11 10.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.4 tpp -45.16 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.18 54.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.14 76.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 176' ' ' MET . 2.2 mtt180 -71.3 -64.25 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 173' ' ' ARG . 38.9 mmtt -38.68 -35.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -75.28 -49.52 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 173' ' ' ARG . 8.7 tpp -42.27 -50.14 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -96.2 -65.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 180' ' ' GLY . 0.8 OUTLIER 75.95 -5.02 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 38.09 -97.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 178' ' ' GLU . . . 149.37 -100.13 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -39.26 -59.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.227 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.921 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.5 pttt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 133' ' ' ASN . 15.0 m -47.63 -58.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.7 -61.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 15.1 mtt -54.2 -47.44 72.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 132' ' ' VAL . 45.7 t0 -51.89 -36.26 48.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.71 -51.93 14.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.7 mtt85 -48.79 -58.56 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.21 -56.73 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.5 t-20 -33.77 -47.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.27 -66.37 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 142' ' ' GLN . 16.3 tttt -106.75 128.93 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 142' ' ' GLN . 0.9 OUTLIER 173.98 106.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.629 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 43.22 94.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 73.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -115.94 154.61 29.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 10.9 tt0 -144.39 11.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.2 m-20 153.96 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -69.65 58.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER 177.67 74.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.1 tt0 -140.04 109.19 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -94.69 105.36 17.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -105.09 118.53 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.446 ' C ' HD21 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -109.41 179.4 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -35.82 -48.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 12.7 t0 -69.62 56.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.599 ' CG1' ' CB ' ' A' ' 161' ' ' ARG . 1.1 t -85.86 -63.92 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.499 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 39.94 -140.2 0.94 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 160' ' ' TRP . 4.5 t70 -63.52 -49.84 71.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.629 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.07 -47.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.046 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.599 ' CB ' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -65.66 -67.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.3 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.3 m-20 -66.79 -79.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.7 OUTLIER -45.09 -54.45 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -44.5 -49.05 10.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 167' ' ' LYS . 3.6 mt-10 -68.35 -78.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 168' ' ' SER . 12.2 ptpt -38.81 -56.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 5.7 t -61.21 -55.32 33.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . -40.6 -60.87 1.99 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 4.1 mtp -38.1 -66.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.99 -38.87 73.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -50.48 -53.37 24.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.8 OUTLIER -67.4 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 173' ' ' ARG . 34.2 mmtt -39.06 -34.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -49.33 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 173' ' ' ARG . 12.2 tpt -42.75 -50.13 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -96.26 -64.8 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 179' ' ' ALA . 0.4 OUTLIER 74.56 -2.87 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.83 58.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -150.62 111.31 0.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -157.78 125.9 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.313 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.6 tttt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 74.7 t -66.4 -62.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -38.31 -31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' C ' ' A' ' 132' ' ' VAL . 2.3 mmt -75.77 -55.69 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 4.7 t0 -46.04 -46.81 16.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.66 -61.49 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.8 -76.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -43.4 -63.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' ALA . 14.1 t30 -36.56 -35.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 138' ' ' ALA . 2.2 mp -81.68 -76.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 1.0 OUTLIER -52.39 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.504 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 0.3 OUTLIER 33.68 72.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 2.0 m 59.05 113.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 151' ' ' GLU . 22.4 mmtt -122.93 135.42 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.575 ' CB ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -170.96 140.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -124.3 2.95 8.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -75.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -168.36 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -77.59 1.82 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -134.28 94.72 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.575 ' HB3' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -157.37 154.19 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.79 112.95 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.473 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -94.08 130.22 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -103.73 -178.39 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -50.28 -21.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.2 t0 -78.13 10.37 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.645 ' CG2' ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -35.97 -75.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.479 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 42.61 -132.95 4.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.389 1.055 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 8.2 m-20 -70.36 -47.08 62.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.601 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.3 -53.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.645 ' CB ' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -62.36 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.6 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.2 tppt? -23.31 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 73.7 m-20 -61.36 -65.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.1 pp -79.85 24.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.5 tm-20 -111.89 -40.6 4.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.46 ' CG ' ' OE1' ' A' ' 165' ' ' GLU . 1.3 mm-40 -105.17 -35.18 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -90.18 -7.31 53.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.444 ' OG ' ' CE ' ' A' ' 167' ' ' LYS . 11.3 m -138.48 71.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -173.05 -59.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.7 ttt -51.04 -25.5 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.08 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -51.9 -31.65 32.33 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -59.19 -71.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.39 0.7 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -52.79 -25.08 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.578 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.23 -22.34 44.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 173' ' ' ARG . 4.6 tpp -91.34 -13.66 32.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -173.35 57.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 174' ' ' LYS . 7.2 pt-20 -31.95 91.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -69.84 61.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -80.5 115.23 4.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.6 66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.175 . . . . 0.0 109.937 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.9 t -61.22 -66.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -36.48 -33.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -69.0 -60.03 2.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 1.2 m-20 -57.22 -21.93 37.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -71.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -46.43 -57.13 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.05 -59.47 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.5 t30 -44.57 -32.39 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.3 OUTLIER -74.87 -80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -38.52 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 142' ' ' GLN . 4.1 mm-40 68.73 64.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.587 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 42.26 93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 144.1 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -168.1 163.33 13.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -145.95 15.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 167.57 -158.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.8 t -89.86 -41.71 11.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.12 27.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.75 62.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.505 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 3.0 tm-20 -118.88 139.23 51.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -127.1 97.93 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -106.17 132.01 52.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -117.21 -176.45 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -20.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 110.376 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' VAL . 9.3 t70 -78.23 10.27 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.616 ' CG2' ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -38.48 -76.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.523 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 46.67 -130.14 11.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 160' ' ' TRP . 12.0 p-10 -75.46 -45.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.587 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -39.78 -52.47 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -66.15 -58.67 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -29.01 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.0 m-80 -80.06 -61.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.563 ' O ' ' CD1' ' A' ' 164' ' ' ILE . 2.3 pp -84.11 31.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -137.47 -38.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 10.5 tp10 -94.12 -29.59 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 168' ' ' SER . 21.1 mttt -88.79 -78.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 167' ' ' LYS . 19.3 m -37.04 -52.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -50.65 -63.53 4.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 30.5 mtm -58.86 -65.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.774 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 8.3 mt-10 -40.12 -36.41 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.43 -59.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -55.52 -18.87 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.241 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 2.7 mmmt -86.16 -37.51 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 171' ' ' GLU . 0.0 OUTLIER -84.66 -4.19 58.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.558 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 8.9 ptm -101.68 -44.14 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.656 ' O ' ' C ' ' A' ' 178' ' ' GLU . 0.1 OUTLIER -101.32 -9.46 21.17 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 177' ' ' PHE . 1.3 tt0 11.51 68.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 177' ' ' PHE . . . -130.05 47.15 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -163.78 162.58 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.63 162.36 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.974 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -50.59 -50.37 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.488 ' N ' ' CG1' ' A' ' 132' ' ' VAL . 4.4 p30 -38.79 -49.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.433 ' CG ' ' OD1' ' A' ' 133' ' ' ASN . 4.5 mtt -67.04 -43.48 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 33.4 t0 -55.04 -37.14 66.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' ASN . 1.3 tm? -70.37 -68.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -39.16 -57.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' GLN . . . -60.3 -38.67 84.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 8.1 t30 -71.46 -6.59 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 -56.6 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.515 ' HB3' ' CD1' ' A' ' 154' ' ' LEU . 9.4 mtpp -85.35 -58.58 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.567 ' O ' ' CD2' ' A' ' 154' ' ' LEU . 1.4 pt20 43.21 -94.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.649 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -139.13 109.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.88 78.3 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 132.54 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -155.34 19.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 157.04 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 149' ' ' GLU . 9.0 t -67.58 -52.02 43.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 148' ' ' THR . 10.7 mt-10 -81.22 -20.9 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 150' ' ' LYS . 2.7 mmtt -87.22 101.1 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -169.16 58.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -50.84 117.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.462 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -104.21 132.3 50.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.567 ' CD2' ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -124.98 -178.67 4.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -32.17 -56.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.561 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 20.2 t0 -67.51 59.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.617 ' CG1' ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -86.39 -60.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.467 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 38.67 -140.98 0.51 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -64.09 -49.29 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.649 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.45 -43.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.617 ' CB ' ' CG1' ' A' ' 157' ' ' VAL . 0.2 OUTLIER -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.0 tptt -28.55 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -66.31 -79.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 160' ' ' TRP . 1.2 pp -46.44 -53.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -43.9 -48.93 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 170' ' ' MET . 0.5 OUTLIER -70.68 -79.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -48.77 -96.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.417 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 4.0 m -63.85 75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . 168.71 -53.08 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.494 ' CB ' ' O ' ' A' ' 166' ' ' GLU . 0.2 OUTLIER -55.12 -31.97 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 0.725 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.5 -54.03 51.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -61.23 -54.26 37.85 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -51.34 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 177' ' ' PHE . 8.5 mmtt -65.24 -52.45 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -28.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.44 ' N ' ' C ' ' A' ' 174' ' ' LYS . 1.4 tpp -85.49 -42.69 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.589 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -166.13 70.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -47.72 -41.9 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 61.62 121.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.364 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -127.55 89.41 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -90.73 -61.32 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 tttp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.0 t -65.8 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.11 -33.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.454 ' CE ' ' CZ ' ' A' ' 137' ' ' ARG . 2.5 mmt -77.02 -53.22 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -46.98 -51.76 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.83 78.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.454 ' CZ ' ' CE ' ' A' ' 134' ' ' MET . 1.9 ttp180 -42.17 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -53.59 -52.59 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' ALA . 18.8 t30 -37.58 -33.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 138' ' ' ALA . 8.5 tp -81.63 -49.7 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -120.59 125.55 48.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 142' ' ' GLN . 0.3 OUTLIER 177.28 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 110.28 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.646 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER 48.41 101.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.54 80.43 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 4.1 pttm -131.94 164.7 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.17 20.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.9 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 149' ' ' GLU . 8.6 t -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 148' ' ' THR . 3.9 mt-10 -71.31 -53.99 12.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 89.23 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.501 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.2 tm-20 -150.03 128.97 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -121.05 107.73 12.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -100.65 105.51 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -98.91 -172.57 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.52 ' O ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -45.51 171.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.507 ' O ' ' C ' ' A' ' 157' ' ' VAL . 10.2 t0 64.96 5.29 2.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.608 ' CG2' ' CB ' ' A' ' 161' ' ' ARG . 0.8 OUTLIER -31.15 -61.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.533 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 41.26 -135.63 2.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -67.74 -48.7 65.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.646 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.23 -52.05 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 107.981 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.608 ' CB ' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.73 -66.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.0 tmmt? -30.98 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 161' ' ' ARG . 61.6 m-20 -73.15 -61.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.553 ' CD1' ' C ' ' A' ' 164' ' ' ILE . 1.5 pp -78.06 10.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -117.64 -22.77 7.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.567 1.167 . . . . 0.0 110.251 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -97.19 -56.82 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 10.9 pttt -83.06 -35.33 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -102.51 62.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -170.94 -78.27 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.409 1.068 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 174' ' ' LYS . 3.5 ttt -54.32 -27.75 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -61.1 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -57.78 -52.05 54.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.416 1.073 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.43 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 170' ' ' MET . 16.8 mmtm -62.67 -48.22 80.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -31.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -41.75 17.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.635 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -166.0 73.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 177' ' ' PHE . 5.8 mt-10 -35.86 -57.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 60.02 88.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -50.5 120.08 8.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.97 98.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.934 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 133' ' ' ASN . 53.7 t -64.48 -60.22 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -35.1 -37.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.0 mmt -74.14 -53.75 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 11.9 t70 -49.27 -40.53 34.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -53.12 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 9.5 mmt180 -43.87 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -58.54 -51.97 67.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.7 t30 -38.08 -35.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.3 OUTLIER -79.39 -49.19 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -123.24 129.99 52.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.517 ' HA ' ' CD2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -171.88 -39.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.655 ' CB ' ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -173.77 84.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 151' ' ' GLU . 2.9 mtpt -94.38 81.8 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -97.02 132.48 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -154.73 19.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.5 OUTLIER 156.2 -169.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.404 ' CG2' ' N ' ' A' ' 149' ' ' GLU . 7.8 t -67.63 -53.7 25.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 148' ' ' THR . 0.2 OUTLIER -85.62 6.7 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -115.06 103.01 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -172.26 58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -45.7 113.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.487 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 1.5 p-10 -109.31 150.83 27.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.558 ' O ' ' C ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -168.13 -163.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 154' ' ' LEU . 6.7 ptm180 -25.3 137.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 83.44 -5.85 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.672 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -35.53 -77.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 35.86 -118.38 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.27 -58.92 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.672 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -38.9 -31.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 165' ' ' GLU . 6.1 tmm_? -73.84 -70.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.14 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -69.82 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.595 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -81.3 13.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.7 tp10 -106.2 -43.28 4.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.76 -37.91 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -49.01 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -39.26 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -36.93 -64.12 0.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 171' ' ' GLU . 3.7 mtt -38.78 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 172' ' ' GLY . 17.2 pt-20 -37.91 -44.15 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 171' ' ' GLU . . . -48.08 -54.29 12.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 176' ' ' MET . 5.4 mtm180 -68.44 -60.09 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.496 ' O ' ' CA ' ' A' ' 178' ' ' GLU . 4.9 mmmt -40.43 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.398 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.3 OUTLIER -81.41 -48.4 11.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.122 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 173' ' ' ARG . 9.8 tpp -45.41 -44.89 12.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 178' ' ' GLU . 9.9 m-85 -105.0 -57.61 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 179' ' ' ALA . 4.2 pt-20 51.22 15.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.557 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 27.76 60.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.41 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -116.47 -83.83 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -134.75 84.75 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 134' ' ' MET . 58.1 t -67.26 -68.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.0 OUTLIER -37.1 -32.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.7 mmt -70.84 -54.87 9.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 132' ' ' VAL . 2.0 t0 -51.6 -34.73 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.92 -44.22 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -53.46 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.79 -47.02 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.4 t-20 -38.01 -63.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.48 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.4 -138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.57 ' CB ' ' O ' ' A' ' 141' ' ' LYS . 0.9 OUTLIER 91.73 53.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.668 ' CG1' ' CH2' ' A' ' 160' ' ' TRP . 55.4 t 67.91 119.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -155.34 100.18 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.559 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -130.95 162.44 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -145.53 12.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.6 OUTLIER 157.61 -167.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -48.57 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.507 ' N ' ' OG1' ' A' ' 148' ' ' THR . 2.2 mm-40 -43.52 -63.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.559 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 4.8 tm-20 -156.77 111.47 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -103.65 103.81 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.508 ' OD2' ' CG1' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -99.31 143.89 29.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -162.39 -164.55 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -28.62 135.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 14.3 t0 86.74 -6.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.715 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -36.21 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 36.03 -119.96 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 160' ' ' TRP . 19.3 m-20 -66.89 -59.86 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 0.726 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.715 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -35.62 -36.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 162' ' ' LYS . 61.3 ttt180 -72.62 -77.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.4 tmtt? -31.36 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.8 m-80 -61.62 -75.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.528 ' CD1' ' CD ' ' A' ' 151' ' ' GLU . 1.2 pp -56.07 -48.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -39.86 -50.55 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.14 -75.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -41.17 -59.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.458 ' N ' ' CG ' ' A' ' 167' ' ' LYS . 6.1 m -81.05 56.56 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 179.52 -74.81 0.06 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -37.0 7.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.794 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.488 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 7.3 mm-40 -57.7 -81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 171' ' ' GLU . . . -36.49 -41.63 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -52.78 -62.03 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 110.338 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.57 ' O ' ' CA ' ' A' ' 178' ' ' GLU . 4.6 mmmt -61.5 -18.32 58.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 171' ' ' GLU . 0.0 OUTLIER -88.74 -10.52 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 4.6 ptm -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.64 ' CE2' ' CB ' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -115.82 -21.23 9.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 4.7 tt0 30.09 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.64 ' CB ' ' CE2' ' A' ' 177' ' ' PHE . . . -150.87 103.34 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.51 143.5 10.41 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.22 100.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.734 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 134' ' ' MET . 32.3 t -65.42 -67.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.71 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.2 mmt -71.95 -54.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -51.89 -31.97 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 24.6 tp -72.21 -49.21 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 5.1 mtt180 -48.41 -56.36 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -67.36 -46.9 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.8 t30 -39.31 -41.82 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.04 -36.29 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.515 ' HG3' ' CD1' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -114.32 99.71 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.393 1.058 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 141' ' ' LYS . 1.0 OUTLIER 178.89 48.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.536 HG12 ' CG ' ' A' ' 160' ' ' TRP . 58.0 t 67.9 73.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.402 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -136.42 120.28 17.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.532 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 3.0 pttm -147.1 155.91 42.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.33 9.31 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.427 ' HB3' ' CD ' ' A' ' 150' ' ' LYS . 5.1 t0 172.08 -149.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -70.44 -98.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.509 ' N ' ' OG1' ' A' ' 148' ' ' THR . 0.0 OUTLIER -36.66 -49.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.427 ' CD ' ' HB3' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -65.52 74.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.395 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.532 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -138.33 90.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.402 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.98 102.97 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.508 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -107.31 145.44 32.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.738 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -144.16 -172.81 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -41.5 -39.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 157' ' ' VAL . 12.2 t70 -66.15 -2.58 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.738 ' N ' ' O ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -37.98 -71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 42.93 -130.6 5.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.0 p-10 -69.3 -49.49 55.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 0.743 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.631 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -38.45 -59.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.645 ' O ' ' N ' ' A' ' 165' ' ' GLU . 12.7 ttp180 -58.84 -72.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.618 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.4 tptp -22.35 -53.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 77.4 m-20 -54.58 -65.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.561 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.5 pp -76.21 5.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 161' ' ' ARG . 15.4 tp10 -84.95 -44.35 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -102.02 -45.43 5.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -67.32 -9.49 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 87.17 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 157.42 -64.11 0.31 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.2 tpp -40.93 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.73 -34.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 175' ' ' LYS . . . -68.09 -62.54 4.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.545 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -55.47 -16.78 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.6 mtmt -84.91 -44.23 13.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.485 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.3 OUTLIER -82.14 -2.46 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.569 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 3.8 ptm -100.27 -45.48 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.662 ' CE2' ' CB ' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -97.98 -11.03 23.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.542 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER 28.02 86.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.24 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.662 ' CB ' ' CE2' ' A' ' 177' ' ' PHE . . . -148.6 -178.57 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 84.22 167.33 42.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -106.96 -49.35 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 135' ' ' ASP . 78.2 t -54.04 -57.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 134' ' ' MET . 0.2 OUTLIER -37.65 -46.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.675 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 15.5 mmt -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -48.5 -49.29 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 0.5 OUTLIER -68.6 -45.58 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 1.6 mmt85 -46.07 -57.48 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -70.48 -43.87 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' LEU . 6.3 t-20 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mp -88.82 -33.89 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -114.24 93.25 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.505 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 1.8 pp0? -179.71 93.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.642 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.7 OUTLIER 52.15 103.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.91 64.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 156.06 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.47 -40.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 149' ' ' GLU . 26.3 m-20 -162.61 158.85 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.517 ' O ' ' CA ' ' A' ' 168' ' ' SER . 0.6 OUTLIER -39.39 -27.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.387 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 147' ' ' ASP . 22.5 pt-20 -104.84 -37.26 7.09 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -82.93 122.34 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 1.9 pp20? 177.47 112.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.86 116.49 24.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.557 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -97.31 104.67 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.393 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -105.19 -176.63 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.462 ' O ' HD21 ' A' ' 154' ' ' LEU . 1.9 ptm180 -36.13 152.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 157' ' ' VAL . 2.5 t70 77.13 1.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.59 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 1.7 m -25.04 -58.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.59 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 38.29 -147.55 0.11 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -34.22 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.642 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -44.71 -50.32 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 107.955 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.594 ' HA ' ' CD1' ' A' ' 164' ' ' ILE . 55.6 ttt180 -68.12 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -38.37 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 12.1 m-80 -70.63 -74.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.594 ' CD1' ' HA ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -79.81 23.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.172 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 161' ' ' ARG . 15.0 tt0 -118.95 -33.42 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -98.79 -37.92 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -95.9 -31.68 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.517 ' CA ' ' O ' ' A' ' 148' ' ' THR . 1.8 m -112.88 48.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -160.35 -56.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -33.7 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.67 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -40.62 -38.62 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -50.93 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -53.18 -30.45 37.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.92 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 176' ' ' MET . 2.6 tpt -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.708 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -177.59 66.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 174' ' ' LYS . 29.4 tt0 -37.89 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . 74.33 56.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 177.26 179.93 47.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 47.81 94.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 133' ' ' ASN . 76.8 t -60.52 -59.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.674 ' ND2' ' H ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -37.24 -43.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.674 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 84.9 mmm -66.22 -50.53 63.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 13.1 t70 -52.53 -34.5 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 29.8 tp -70.71 -51.07 29.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -48.29 -60.13 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 142' ' ' GLN . . . -61.98 -61.77 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.2 t30 -37.79 -33.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 138' ' ' ALA . 12.9 mt -82.98 -76.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 21.9 mtpt -54.88 -67.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER 32.03 85.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.43 1.082 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.718 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 1.3 m 61.53 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -129.13 60.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -67.06 143.01 56.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.2 mt-10 -149.04 14.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.1 m-20 151.76 142.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 149' ' ' GLU . 6.7 t -46.39 -32.12 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.523 ' O ' ' CE ' ' A' ' 150' ' ' LYS . 0.5 OUTLIER -105.38 35.22 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -172.54 105.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.16 104.05 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.7 114.28 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -103.23 121.04 41.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.535 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -112.25 -170.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -62.57 139.89 58.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 7.2 t0 84.91 -1.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.665 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 8.6 p -60.19 -59.58 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 161' ' ' ARG . . . 9.66 -85.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 157' ' ' VAL . 37.2 m-20 -35.94 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.718 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 1.7 p-90 -53.17 -23.65 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.721 ' HB3' ' O ' ' A' ' 158' ' ' GLY . 2.0 tmt_? -63.81 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.9 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.5 m120 -52.77 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.622 HG23 ' CE3' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -73.1 -42.03 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -36.79 -45.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.222 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.17 -50.97 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -99.8 65.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 0.9 OUTLIER -176.91 35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.978 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 160.61 -54.87 0.33 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -31.59 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 111.04 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -59.87 -53.59 56.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.12 -56.36 22.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -41.69 -51.54 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 176' ' ' MET . 21.2 mmtm -65.01 -52.41 56.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -29.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.44 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.6 OUTLIER -85.24 -43.97 13.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.61 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -164.22 71.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.27 97.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -104.21 73.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -158.36 105.6 0.27 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.41 118.09 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 82.6 t -72.53 -68.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -38.12 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.01 -54.39 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 39.5 t0 -50.26 -41.16 49.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -66.47 -50.51 63.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 12.8 mmt180 -50.26 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.17 -52.49 58.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.8 t30 -37.5 -50.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -55.52 25.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.74 111.36 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 154' ' ' LEU . 7.8 pt20 -152.83 -43.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.633 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -166.83 110.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 145' ' ' LYS . 1.9 mmmt -138.26 149.63 45.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 21.8 pttt -179.3 -169.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -166.95 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 150' ' ' LYS . 14.2 m-20 -152.62 161.76 42.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -43.8 -42.04 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.7 mt-10 -90.62 31.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -164.6 76.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.524 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.1 OUTLIER -127.12 108.33 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -87.99 111.54 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.476 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -114.25 133.18 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.547 ' CD2' ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -109.83 -176.01 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -49.3 -36.97 22.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t0 -62.18 -0.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.596 ' C ' ' O ' ' A' ' 156' ' ' ASP . 1.0 OUTLIER -24.58 -67.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.539 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 34.43 -141.08 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.1 m-20 -68.54 -40.03 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.677 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -41.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.677 ' N ' ' CG ' ' A' ' 160' ' ' TRP . 0.8 OUTLIER -56.28 -65.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.4 tptm -25.22 -48.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.507 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 41.5 m-80 -63.36 -60.94 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 pp -79.8 15.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -103.58 -40.92 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -98.44 -39.61 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -90.11 40.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 148' ' ' THR . 78.1 p -133.5 -62.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.73 -83.06 0.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.4 ttp -44.98 -26.35 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 0.715 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -70.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -45.28 -32.54 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -74.22 -68.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 0.734 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -45.45 -25.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -83.87 -39.49 19.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.561 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 5.2 ptm -53.3 -44.81 68.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.561 ' N ' ' CG ' ' A' ' 176' ' ' MET . 0.1 OUTLIER -98.77 -15.86 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.941 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.555 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER 27.65 79.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.225 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.47 ' O ' ' CE2' ' A' ' 177' ' ' PHE . . . -168.61 64.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 158.95 146.06 4.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -114.2 160.76 18.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.952 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.0 t -64.22 -63.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.94 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.1 mmt -73.47 -53.26 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.5 OUTLIER -50.39 -37.97 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -48.19 60.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -48.23 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -58.59 -50.31 74.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.0 t30 -37.59 -42.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.69 -47.34 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -124.68 120.78 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.517 ' HA ' ' CD2' ' A' ' 154' ' ' LEU . 4.0 pt20 -164.0 -41.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.7 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -170.58 89.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.81 69.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 141.25 28.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.642 1.214 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.5 mt-10 -150.07 15.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.8 m-20 152.04 -172.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 149' ' ' GLU . 9.2 t -63.73 -53.76 46.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.43 ' N ' ' CG2' ' A' ' 148' ' ' THR . 1.4 mt-10 -73.95 -26.14 60.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 96.9 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.467 ' CD ' ' CD1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -155.38 95.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.442 ' OD2' ' NE ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -108.35 144.78 35.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.517 ' CD2' ' HA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -160.48 -165.6 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.514 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -30.02 143.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 81.54 -6.72 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.735 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -39.36 -75.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 34.42 -105.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -78.74 -61.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.735 ' CD1' ' HA ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -33.55 -44.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.969 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 164' ' ' ILE . 1.3 ttt180 -70.88 -67.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.68 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.7 m120 -65.4 -75.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.598 HD12 ' CZ2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -49.88 -52.08 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -42.48 -49.33 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.452 ' C ' ' N ' ' A' ' 168' ' ' SER . 14.5 tt0 -70.51 -76.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.19 -31.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 23.0 t -80.66 -58.0 3.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 171' ' ' GLU . . . -54.71 -64.62 4.17 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.01 -27.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 169' ' ' GLY . 0.7 OUTLIER -76.88 -54.08 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -54.73 -27.96 44.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -81.4 -61.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 173' ' ' ARG . 25.1 mmmt -39.89 -42.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.19 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -75.47 -38.74 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.8 OUTLIER -53.3 -51.38 62.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -96.53 -63.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 179' ' ' ALA . 2.1 mt-10 73.46 -2.6 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.15 50.3 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 43.5 74.42 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.0 83.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.182 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 134' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' ASP . 63.0 t -79.21 -66.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 134' ' ' MET . 3.3 p30 -37.6 -49.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 135' ' ' ASP . 2.6 ppp? -69.93 -40.36 75.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.3 t70 -55.99 -36.33 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -48.8 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -47.95 -60.02 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -59.16 -52.27 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 138' ' ' ALA . 38.3 t-20 -38.41 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.0 -32.07 52.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.501 ' CE ' ' CG ' ' A' ' 152' ' ' LYS . 13.5 tttm -85.97 -116.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 13.6 pt20 35.57 91.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.622 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 50.4 t 53.57 78.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.479 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -122.59 91.21 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.443 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -105.43 158.09 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -174.9 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 150' ' ' LYS . 53.6 m-20 -161.36 158.27 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -37.54 -43.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.18 -37.14 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.8 OUTLIER -88.55 86.94 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.443 ' CG ' ' HG3' ' A' ' 145' ' ' LYS . 6.9 tm-20 -162.49 107.92 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.501 ' CG ' ' CE ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -115.3 116.26 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.565 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -113.13 128.69 56.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -107.25 -175.27 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.05 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.421 ' CD ' ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -47.65 -21.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 157' ' ' VAL . 14.0 t70 -77.39 10.29 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.514 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.2 OUTLIER -34.48 -71.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 43.4 -141.47 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.25 -31.54 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.678 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -48.26 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 107.938 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.68 ' O ' ' N ' ' A' ' 165' ' ' GLU . 1.9 ttt180 -57.83 -62.12 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 161' ' ' ARG . 6.4 tptt -23.71 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 165' ' ' GLU . 50.9 m-20 -60.73 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.9 pp -78.32 17.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.68 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.2 tt0 -101.75 -41.3 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -97.36 -40.39 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -79.75 -25.93 40.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 3.2 m -130.45 68.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.62 -63.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 10.7 mtt -65.97 -49.03 69.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.29 -35.84 51.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -71.55 -52.72 11.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -59.77 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.498 ' HB3' ' CG ' ' A' ' 178' ' ' GLU . 8.3 mmtm -58.76 -46.84 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -33.76 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -38.97 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.649 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -169.76 76.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.498 ' CG ' ' HB3' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -40.69 104.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -101.78 94.1 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 182' ' ' SER . . . -92.26 94.28 1.89 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.16 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 0.724 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 180' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.974 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.2 t -65.13 -62.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.87 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtt -74.63 -54.79 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' VAL . 24.0 t0 -48.41 -35.28 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.2 tp -72.57 -51.78 18.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -45.13 -63.76 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.427 1.08 . . . . 0.0 110.348 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -59.27 -53.41 58.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.1 t30 -36.08 -39.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -51.33 14.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 138' ' ' ALA . 1.5 mttp -123.14 126.82 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.494 ' HA ' HD21 ' A' ' 154' ' ' LEU . 1.8 pt20 -175.66 54.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.612 HG23 ' CD1' ' A' ' 160' ' ' TRP . 14.1 t 65.69 77.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.2 130.91 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -148.83 124.18 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.25 14.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.458 ' O ' ' NZ ' ' A' ' 145' ' ' LYS . 1.2 t0 169.67 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.0 t -96.17 -28.77 14.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.09 -18.54 13.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 107.02 19.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.32 -179.09 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.434 ' O ' HD11 ' A' ' 154' ' ' LEU . 0.7 OUTLIER -163.71 112.96 1.25 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.463 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -93.45 140.52 29.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -153.47 -170.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.685 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -38.42 94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.685 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 8.2 t70 139.34 -9.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.592 ' C ' ' O ' ' A' ' 156' ' ' ASP . 1.1 m -24.66 -63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.587 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 32.26 -134.49 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.91 -39.4 72.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.681 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -43.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.681 ' N ' ' CG ' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -53.68 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.35 -54.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 165' ' ' GLU . 60.2 m-20 -55.67 -58.63 7.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.9 pp -81.87 17.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -103.41 -39.77 6.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -29.14 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -19.85 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.9 m -135.57 45.57 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -156.59 -63.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -29.02 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.46 -61.14 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.1 -50.5 58.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.609 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mtm-85 -47.64 -53.82 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 178' ' ' GLU . 21.7 mmtm -64.59 -34.16 77.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.435 ' CE ' ' C ' ' A' ' 175' ' ' LYS . 0.9 OUTLIER -67.29 -18.69 65.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.421 ' HB3' ' O ' ' A' ' 173' ' ' ARG . 0.0 OUTLIER -84.92 -54.32 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 173' ' ' ARG . 16.1 p90 -121.51 -30.72 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 174' ' ' LYS . 2.4 tt0 71.98 -64.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 178' ' ' GLU . . . 83.21 79.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 149.89 -151.08 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -124.61 -56.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 98.2 t -68.72 -70.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -35.91 -34.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 8.9 mtt -69.11 -59.09 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 27.2 t0 -58.49 -19.55 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.21 -65.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -49.56 -55.97 11.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -53.73 -59.79 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.39 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.4 t30 -48.52 -29.37 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.64 -86.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.475 ' CG ' ' H ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -59.65 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.475 ' H ' ' CG ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER 79.66 58.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 160' ' ' TRP . 49.1 t 61.94 130.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 109.373 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -145.84 81.14 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.511 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.1 OUTLIER -118.08 145.94 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.2 OUTLIER -115.61 -33.1 5.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.61 -80.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.599 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.2 t -120.44 136.49 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.434 ' C ' ' HD3' ' A' ' 150' ' ' LYS . 4.0 mm-40 70.18 5.14 5.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.599 ' CD ' ' O ' ' A' ' 148' ' ' THR . 0.0 OUTLIER -137.67 95.63 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.511 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -151.79 74.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 143' ' ' VAL . 1.8 ttmt -67.94 109.46 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.487 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -106.79 129.03 54.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -116.07 -173.19 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -49.57 -37.1 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 157' ' ' VAL . 4.0 t70 -62.32 -5.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.652 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.2 t -31.4 -69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.652 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 34.94 -134.2 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -61.85 -56.63 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.651 ' CE2' ' CG2' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -33.88 -40.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.972 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.599 ' CB ' HG11 ' A' ' 157' ' ' VAL . 1.3 tmm_? -66.31 -72.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.02 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.6 m-20 -62.78 -79.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.575 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -49.02 -53.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.11 -53.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.3 -53.84 46.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 84.74 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.7 t -170.52 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -86.06 -48.56 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -46.18 63.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.73 -38.98 84.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.08 -48.75 61.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 176' ' ' MET . 92.5 mtt180 -73.04 -65.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 173' ' ' ARG . 58.8 mmtt -37.65 -32.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.0 OUTLIER -77.27 -52.06 9.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.5 OUTLIER -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.046 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -102.22 -65.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 179' ' ' ALA . 0.0 OUTLIER 73.55 -1.44 3.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 36.42 80.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -117.84 -81.42 0.8 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -72.77 96.38 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 78.4 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -37.23 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.0 mmt -73.76 -55.47 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -48.24 -31.84 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.1 -51.68 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -57.35 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.75 -51.13 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 138' ' ' ALA . 37.9 t-20 -39.29 -56.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.556 ' O ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.008 ' N ' HD21 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -39.8 113.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -138.94 120.12 14.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 11.1 pttm -147.99 162.16 39.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 0.4 OUTLIER -133.07 -4.01 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 150' ' ' LYS . 2.3 m-20 -168.91 135.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -36.67 -45.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.446 ' OE1' ' CD ' ' A' ' 150' ' ' LYS . 2.3 pt-20 -73.77 -37.03 65.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -103.16 101.88 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.568 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -141.95 163.58 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 108.42 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -94.63 138.88 31.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.008 HD21 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -132.4 -177.97 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -34.83 -47.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.47 ' N ' ' CD ' ' A' ' 155' ' ' ARG . 5.3 t0 -71.44 45.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.016 HG13 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.32 -77.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.859 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 53.01 -142.25 27.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.7 m-20 -65.75 -42.63 90.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.213 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.756 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -40.31 -55.64 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.016 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -60.03 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -28.84 -46.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 m120 -63.12 -83.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -45.0 -54.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -40.67 -52.25 2.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.177 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.76 -51.6 67.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.77 74.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 151' ' ' GLU . 88.6 p -168.41 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . . . . . . 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 133' ' ' ASN . 95.4 t . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -35.42 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -75.02 -56.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -48.74 -28.16 3.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.175 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 tp -78.03 -52.56 8.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 4.4 mtt180 -44.48 -55.35 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.861 ' HB2' ' HG3' ' A' ' 155' ' ' ARG . . . -67.47 -51.36 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.9 t-20 -36.23 -57.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.509 ' CA ' HD21 ' A' ' 154' ' ' LEU . 19.8 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.871 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -43.44 114.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.617 1.198 . . . . 0.0 109.367 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 2.2 mttm -110.72 66.32 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 3.2 tttt -72.72 119.27 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.4 tm-20 -111.19 10.88 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 3.9 m-20 157.51 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 149' ' ' GLU . 4.4 t -152.62 -51.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 148' ' ' THR . 0.1 OUTLIER -95.89 11.15 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.425 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -131.06 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -108.92 104.72 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.496 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -70.14 110.86 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.856 ' C ' HD13 ' A' ' 154' ' ' LEU . 2.1 p-10 -98.65 136.18 39.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.856 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -153.57 -164.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.861 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -25.53 138.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 26.2 t0 84.75 -5.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.65 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -37.9 -81.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 34.38 -111.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -69.29 -61.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.871 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.46 -32.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.074 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.588 ' HB2' ' CB ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -73.82 -77.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.8 -37.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 161' ' ' ARG . 37.8 m-20 -61.8 -74.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.722 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -58.84 -46.53 91.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.2 tp10 -42.0 -47.12 4.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 167' ' ' LYS . 2.0 mt-10 -91.86 -77.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 166' ' ' GLU . 6.7 ptpt -38.9 -41.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -108.95 65.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.082 . . . . 0.0 111.002 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 134' ' ' MET . 59.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.3 OUTLIER -38.64 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 132' ' ' VAL . 1.8 mtt -75.91 -54.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 0.4 OUTLIER -48.27 -38.21 18.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.9 tp -70.61 -54.89 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -43.62 -69.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.445 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.9 t30 -40.68 -29.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 143' ' ' VAL . 6.3 mt-30 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.099 HG22 ' CE2' ' A' ' 160' ' ' TRP . 2.2 t 45.06 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -148.56 136.04 20.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -160.97 -160.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.25 -30.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 150' ' ' LYS . 11.9 m-20 -153.18 157.09 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -43.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -34.21 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -95.54 86.46 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.555 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.1 mt-10 -143.69 142.29 30.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.52 105.5 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.799 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -111.96 143.94 42.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.799 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -124.27 -167.04 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -26.15 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.6 t0 -72.63 1.73 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.01 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -30.23 -72.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 34.54 -137.3 0.24 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -66.93 -47.38 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.099 ' CE2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.04 -68.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.037 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.01 ' HB3' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -52.77 -72.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.94 -51.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 69.8 m-20 -63.08 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.635 HD11 ' HA ' ' A' ' 161' ' ' ARG . 1.7 pp -41.53 -55.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.516 ' CG ' ' HG2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -39.36 -53.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 167' ' ' LYS . 1.7 mm-40 -73.58 -65.33 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 166' ' ' GLU . 10.5 mttt -38.49 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.2 -63.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ASN . 56.7 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -36.35 -35.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.21 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.85 -54.07 7.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.7 t0 -47.97 -34.47 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.37 -54.48 7.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 8.1 mmt180 -39.42 -60.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.51 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.7 -56.37 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 138' ' ' ALA . 20.2 t30 -32.42 -40.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.634 ' C ' HG12 ' A' ' 143' ' ' VAL . 1.2 pt20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.707 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -164.0 122.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.475 ' HG3' HD12 ' A' ' 154' ' ' LEU . 11.1 mtpt -125.58 88.66 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.7 pttm -140.52 153.34 46.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 5.1 mt-10 -138.77 2.31 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 148' ' ' THR . 0.8 OUTLIER -170.23 134.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 147' ' ' ASP . 1.5 t -27.6 -49.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -72.23 -55.24 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -71.03 80.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.613 ' OE1' HD12 ' A' ' 164' ' ' ILE . 2.7 tt0 -124.01 125.54 44.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -113.64 109.68 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.492 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -98.24 114.2 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.609 HD11 ' C ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -95.46 174.43 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.471 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -38.38 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.7 t70 75.0 2.01 3.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.759 HG23 ' HB3' ' A' ' 161' ' ' ARG . 1.7 m -26.32 -55.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.552 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 40.38 -146.63 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.92 -36.29 83.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.707 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -42.42 -61.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 107.967 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.759 ' HB3' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -65.84 -68.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.553 ' C ' ' O ' ' A' ' 161' ' ' ARG . 11.9 tptt -28.04 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 60.1 m-20 -64.21 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.679 HD13 ' CH2' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -47.26 -53.45 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -41.82 -49.77 4.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.363 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.13 -73.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' GLY . 3.8 ptpt -49.25 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.2 m -65.37 74.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 133' ' ' ASN . 74.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -32.65 -40.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtm -68.94 -60.43 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 15.6 t0 -51.29 -24.56 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -70.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -58.46 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 155' ' ' ARG . . . -52.98 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 13.9 t30 -41.55 -31.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 138' ' ' ALA . 2.0 mp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.426 ' C ' HD21 ' A' ' 154' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.615 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -150.43 121.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 152' ' ' LYS . 1.0 OUTLIER -121.45 78.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HD3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -137.25 155.39 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.2 OUTLIER -154.31 18.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.0 m-20 153.89 162.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -37.39 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -89.58 25.08 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -163.3 86.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.56 ' CG ' HD13 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -141.89 111.52 6.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 4.3 tttt -115.82 103.51 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.52 ' OD1' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -100.44 123.51 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -122.35 177.36 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -31.53 140.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 157' ' ' VAL . 6.0 t70 84.08 8.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.7 OUTLIER -30.41 -53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.547 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 41.74 -151.16 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.9 m-20 -60.48 -38.09 83.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.679 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -41.33 -62.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -63.57 -70.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.8 ttmt -25.24 -54.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 165' ' ' GLU . 66.0 m-20 -54.7 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.679 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 2.2 pp -74.29 7.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -92.73 -38.27 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -47.05 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 2.0 ptpt -90.15 61.72 5.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.9 p -151.41 -73.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.565 HG23 ' H ' ' A' ' 133' ' ' ASN . 15.0 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.565 ' H ' HG23 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.7 -61.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 15.1 mtt -54.2 -47.44 72.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 132' ' ' VAL . 45.7 t0 -51.89 -36.26 48.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.71 -51.93 14.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.7 mtt85 -48.79 -58.56 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.21 -56.73 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.5 t-20 -33.77 -47.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.496 ' HA ' HD21 ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.735 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER 43.22 94.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 73.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -115.94 154.61 29.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 10.9 tt0 -144.39 11.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.2 m-20 153.96 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -51.39 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.712 ' H ' HG23 ' A' ' 148' ' ' THR . 1.7 pt-20 -69.65 58.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER 177.67 74.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.645 ' CD ' HD12 ' A' ' 164' ' ' ILE . 1.1 tt0 -140.04 109.19 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -94.69 105.36 17.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -105.09 118.53 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.735 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -109.41 179.4 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -35.82 -48.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 12.7 t0 -69.62 56.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.067 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t -85.86 -63.92 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.688 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 39.94 -140.2 0.94 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 160' ' ' TRP . 4.5 t70 -63.52 -49.84 71.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.645 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.07 -47.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.046 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.067 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -65.66 -67.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.3 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.3 m-20 -66.79 -79.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.645 HD12 ' CD ' ' A' ' 151' ' ' GLU . 0.7 OUTLIER -45.09 -54.45 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -44.5 -49.05 10.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 167' ' ' LYS . 3.6 mt-10 -68.35 -78.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 168' ' ' SER . 12.2 ptpt -38.81 -56.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 5.7 t -61.21 -55.32 33.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.929 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 74.7 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -38.31 -31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' C ' ' A' ' 132' ' ' VAL . 2.3 mmt -75.77 -55.69 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 4.7 t0 -46.04 -46.81 16.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.66 -61.49 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.8 -76.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -43.4 -63.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' ALA . 14.1 t30 -36.56 -35.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 138' ' ' ALA . 2.2 mp . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.695 ' C ' HG13 ' A' ' 143' ' ' VAL . 5.9 pt20 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.695 HG13 ' C ' ' A' ' 142' ' ' GLN . 2.0 m 59.05 113.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 151' ' ' GLU . 22.4 mmtt -122.93 135.42 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -170.96 140.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -124.3 2.95 8.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -75.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.5 OUTLIER -168.36 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 148' ' ' THR . 1.7 pt-20 -77.59 1.82 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -134.28 94.72 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.576 ' HB3' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -157.37 154.19 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.79 112.95 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.473 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -94.08 130.22 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.827 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -103.73 -178.39 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -50.28 -21.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.2 t0 -78.13 10.37 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.138 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -35.97 -75.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.706 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 42.61 -132.95 4.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.389 1.055 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 8.2 m-20 -70.36 -47.08 62.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.688 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.3 -53.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.138 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -62.36 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.6 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.2 tppt? -23.31 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 73.7 m-20 -61.36 -65.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.842 ' O ' HD12 ' A' ' 164' ' ' ILE . 2.1 pp -79.85 24.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.5 tm-20 -111.89 -40.6 4.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.46 ' CG ' ' OE1' ' A' ' 165' ' ' GLU . 1.3 mm-40 -105.17 -35.18 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -90.18 -7.31 53.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.444 ' OG ' ' CE ' ' A' ' 167' ' ' LYS . 11.3 m -138.48 71.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.923 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.9 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -36.48 -33.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -69.0 -60.03 2.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 1.2 m-20 -57.22 -21.93 37.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -71.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -46.43 -57.13 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.05 -59.47 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.5 t30 -44.57 -32.39 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 143' ' ' VAL . 4.3 mm100 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.808 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 42.26 93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 144.1 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.518 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -168.1 163.33 13.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -145.95 15.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 167.57 -158.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.8 t -89.86 -41.71 11.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.12 27.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.75 62.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.657 ' CD ' HD13 ' A' ' 164' ' ' ILE . 3.0 tm-20 -118.88 139.23 51.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -127.1 97.93 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.665 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -106.17 132.01 52.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.833 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -117.21 -176.45 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -20.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 110.376 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' VAL . 9.3 t70 -78.23 10.27 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.074 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -38.48 -76.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.753 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 46.67 -130.14 11.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 160' ' ' TRP . 12.0 p-10 -75.46 -45.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.808 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -39.78 -52.47 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.074 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.15 -58.67 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -29.01 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.0 m-80 -80.06 -61.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.88 ' O ' HD12 ' A' ' 164' ' ' ILE . 2.3 pp -84.11 31.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -137.47 -38.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 10.5 tp10 -94.12 -29.59 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 168' ' ' SER . 21.1 mttt -88.79 -78.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 167' ' ' LYS . 19.3 m -37.04 -52.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.488 ' N ' ' CG1' ' A' ' 132' ' ' VAL . 4.4 p30 -38.79 -49.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.433 ' CG ' ' OD1' ' A' ' 133' ' ' ASN . 4.5 mtt -67.04 -43.48 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 33.4 t0 -55.04 -37.14 66.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 136' ' ' LEU . 1.3 tm? -70.37 -68.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -39.16 -57.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' GLN . . . -60.3 -38.67 84.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 8.1 t30 -71.46 -6.59 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.815 ' O ' HD21 ' A' ' 154' ' ' LEU . 1.4 pt20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.649 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -139.13 109.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.511 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -99.88 78.3 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 132.54 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -155.34 19.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 157.04 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 149' ' ' GLU . 9.0 t -67.58 -52.02 43.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 148' ' ' THR . 10.7 mt-10 -81.22 -20.9 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 150' ' ' LYS . 2.7 mmtt -87.22 101.1 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -169.16 58.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.511 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 1.5 tptt -50.84 117.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.462 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -104.21 132.3 50.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.815 HD21 ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -124.98 -178.67 4.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -32.17 -56.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.561 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 20.2 t0 -67.51 59.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.103 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -86.39 -60.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.64 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 38.67 -140.98 0.51 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -64.09 -49.29 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.649 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.45 -43.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.103 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.2 OUTLIER -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.0 tptt -28.55 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -66.31 -79.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.6 HG12 ' CE3' ' A' ' 160' ' ' TRP . 1.2 pp -46.44 -53.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -43.9 -48.93 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -79.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -48.77 -96.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.417 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 4.0 m -63.85 75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -37.11 -33.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.454 ' CE ' ' CZ ' ' A' ' 137' ' ' ARG . 2.5 mmt -77.02 -53.22 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -46.98 -51.76 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.83 78.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.454 ' CZ ' ' CE ' ' A' ' 134' ' ' MET . 1.9 ttp180 -42.17 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.59 -52.59 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' ALA . 18.8 t30 -37.58 -33.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 138' ' ' ALA . 8.5 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.378 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.547 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.782 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.5 OUTLIER 48.41 101.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.54 80.43 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.759 ' HD3' HG21 ' A' ' 164' ' ' ILE . 4.1 pttm -131.94 164.7 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.17 20.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.9 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 149' ' ' GLU . 8.6 t -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.52 ' N ' HG23 ' A' ' 148' ' ' THR . 3.9 mt-10 -71.31 -53.99 12.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 89.23 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.2 tm-20 -150.03 128.97 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -121.05 107.73 12.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -100.65 105.51 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.782 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -98.91 -172.57 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -45.51 171.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.507 ' O ' ' C ' ' A' ' 157' ' ' VAL . 10.2 t0 64.96 5.29 2.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.923 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.8 OUTLIER -31.15 -61.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.682 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 41.26 -135.63 2.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -67.74 -48.7 65.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.663 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.23 -52.05 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 107.981 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.923 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.73 -66.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.0 tmmt? -30.98 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 161' ' ' ARG . 61.6 m-20 -73.15 -61.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.783 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.5 pp -78.06 10.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -117.64 -22.77 7.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.567 1.167 . . . . 0.0 110.251 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -97.19 -56.82 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 10.9 pttt -83.06 -35.33 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -102.51 62.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.409 1.068 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 133' ' ' ASN . 53.7 t . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -35.1 -37.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.0 mmt -74.14 -53.75 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 11.9 t70 -49.27 -40.53 34.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -53.12 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 9.5 mmt180 -43.87 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -58.54 -51.97 67.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.7 t30 -38.08 -35.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.854 ' HA ' HD21 ' A' ' 154' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.779 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -173.77 84.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 2.9 mtpt -94.38 81.8 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.434 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -97.02 132.48 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -154.73 19.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.5 OUTLIER 156.2 -169.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 149' ' ' GLU . 7.8 t -67.63 -53.7 25.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.512 ' N ' HG23 ' A' ' 148' ' ' THR . 0.2 OUTLIER -85.62 6.7 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 147' ' ' ASP . 7.3 mmtp -115.06 103.01 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.506 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -172.26 58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 4.9 mttt -45.7 113.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.754 ' C ' HD13 ' A' ' 154' ' ' LEU . 1.5 p-10 -109.31 150.83 27.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.854 HD21 ' HA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -168.13 -163.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 154' ' ' LEU . 6.7 ptm180 -25.3 137.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 83.44 -5.85 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.642 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -35.53 -77.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 35.86 -118.38 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.27 -58.92 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.779 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.9 -31.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 165' ' ' GLU . 6.1 tmm_? -73.84 -70.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.14 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -69.82 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.718 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -81.3 13.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.7 tp10 -106.2 -43.28 4.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.76 -37.91 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -71.81 -49.01 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -39.26 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 134' ' ' MET . 58.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -37.1 -32.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.7 mmt -70.84 -54.87 9.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 132' ' ' VAL . 2.0 t0 -51.6 -34.73 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.92 -44.22 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -53.46 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.79 -47.02 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.4 t-20 -38.01 -63.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 138' ' ' ALA . 4.1 mt-30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.12 HG13 ' CH2' ' A' ' 160' ' ' TRP . 55.4 t 67.91 119.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 8.9 pttp -155.34 100.18 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -130.95 162.44 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -145.53 12.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.495 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 0.6 OUTLIER 157.61 -167.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -48.57 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.681 ' H ' HG23 ' A' ' 148' ' ' THR . 2.2 mm-40 -43.52 -63.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.27 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.636 ' CG ' HD13 ' A' ' 164' ' ' ILE . 4.8 tm-20 -156.77 111.47 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 4.6 mmtp -103.65 103.81 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.757 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -99.31 143.89 29.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -162.39 -164.55 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -28.62 135.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 14.3 t0 86.74 -6.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.729 HG11 ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -36.21 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 36.03 -119.96 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 160' ' ' TRP . 19.3 m-20 -66.89 -59.86 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 0.726 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.12 ' CH2' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -35.62 -36.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.586 ' HB2' ' CB ' ' A' ' 157' ' ' VAL . 61.3 ttt180 -72.62 -77.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.4 tmtt? -31.36 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.8 m-80 -61.62 -75.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.636 HD13 ' CG ' ' A' ' 151' ' ' GLU . 1.2 pp -56.07 -48.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -39.86 -50.55 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.14 -75.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -41.17 -59.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.458 ' N ' ' CG ' ' A' ' 167' ' ' LYS . 6.1 m -81.05 56.56 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 134' ' ' MET . 32.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -37.71 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.2 mmt -71.95 -54.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -51.89 -31.97 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 24.6 tp -72.21 -49.21 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 5.1 mtt180 -48.41 -56.36 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -67.36 -46.9 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.8 t30 -39.31 -41.82 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.045 HG13 ' CE2' ' A' ' 160' ' ' TRP . 58.0 t 67.9 73.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.47 ' CD ' ' HB2' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -136.42 120.28 17.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.532 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 3.0 pttm -147.1 155.91 42.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -140.33 9.31 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.427 ' HB3' ' CD ' ' A' ' 150' ' ' LYS . 5.1 t0 172.08 -149.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -70.44 -98.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.688 ' H ' HG23 ' A' ' 148' ' ' THR . 0.0 OUTLIER -36.66 -49.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.427 ' CD ' ' HB3' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -65.52 74.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.395 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.649 ' HG2' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -138.33 90.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.47 ' HB2' ' CD ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.98 102.97 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.975 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -107.31 145.44 32.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.975 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -144.16 -172.81 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -41.5 -39.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.472 ' OD1' HG21 ' A' ' 143' ' ' VAL . 12.2 t70 -66.15 -2.58 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -37.98 -71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.699 ' H ' HG23 ' A' ' 157' ' ' VAL . . . 42.93 -130.6 5.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.0 p-10 -69.3 -49.49 55.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 0.743 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.045 ' CE2' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.45 -59.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.645 ' O ' ' N ' ' A' ' 165' ' ' GLU . 12.7 ttp180 -58.84 -72.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.618 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.4 tptp -22.35 -53.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 77.4 m-20 -54.58 -65.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.79 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.5 pp -76.21 5.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 161' ' ' ARG . 15.4 tp10 -84.95 -44.35 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -102.02 -45.43 5.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.641 ' NZ ' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -67.32 -9.49 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 87.17 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 135' ' ' ASP . 78.2 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 9.8 p-10 -37.65 -46.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.478 ' N ' ' CG ' ' A' ' 133' ' ' ASN . 15.5 mmt -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -48.5 -49.29 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 0.5 OUTLIER -68.6 -45.58 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 1.6 mmt85 -46.07 -57.48 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -70.48 -43.87 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' LEU . 26.5 t30 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.606 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.725 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.7 OUTLIER 52.15 103.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.3 OUTLIER -107.91 64.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 156.06 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.47 -40.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 149' ' ' GLU . 26.3 m-20 -162.61 158.85 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.517 ' O ' ' CA ' ' A' ' 168' ' ' SER . 0.6 OUTLIER -39.39 -27.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.387 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 147' ' ' ASP . 22.5 pt-20 -104.84 -37.26 7.09 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -82.93 122.34 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 151' ' ' GLU . 1.9 pp20? 177.47 112.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -85.86 116.49 24.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.557 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -97.31 104.67 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.393 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.725 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -105.19 -176.63 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.497 ' O ' HD23 ' A' ' 154' ' ' LEU . 1.9 ptm180 -36.13 152.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 157' ' ' VAL . 2.5 t70 77.13 1.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.689 HG23 ' HB3' ' A' ' 161' ' ' ARG . 1.7 m -25.04 -58.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.616 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 38.29 -147.55 0.11 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -34.22 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.666 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -44.71 -50.32 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 107.955 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.689 ' HB3' HG23 ' A' ' 157' ' ' VAL . 55.6 ttt180 -68.12 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -38.37 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 160' ' ' TRP . 12.1 m-80 -70.63 -74.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -79.81 23.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.172 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 161' ' ' ARG . 15.0 tt0 -118.95 -33.42 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -98.79 -37.92 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -95.9 -31.68 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.517 ' CA ' ' O ' ' A' ' 148' ' ' THR . 1.8 m -112.88 48.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 133' ' ' ASN . 76.8 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 134' ' ' MET . 9.8 p-10 -37.24 -43.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.438 ' N ' ' CG ' ' A' ' 133' ' ' ASN . 84.9 mmm -66.22 -50.53 63.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 13.1 t70 -52.53 -34.5 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 29.8 tp -70.71 -51.07 29.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -48.29 -60.13 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 142' ' ' GLN . . . -61.98 -61.77 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.2 t30 -37.79 -33.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 138' ' ' ALA . 12.9 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.667 ' C ' HG13 ' A' ' 143' ' ' VAL . 4.6 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.829 HG12 ' CD1' ' A' ' 160' ' ' TRP . 1.3 m 61.53 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 4.0 mmtt -129.13 60.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -67.06 143.01 56.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.2 mt-10 -149.04 14.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.1 m-20 151.76 142.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.7 t -46.39 -32.12 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.523 ' O ' ' CE ' ' A' ' 150' ' ' LYS . 0.5 OUTLIER -105.38 35.22 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -172.54 105.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.16 104.05 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -68.7 114.28 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.989 ' HB2' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -103.23 121.04 41.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.704 HD21 ' H ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -112.25 -170.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -62.57 139.89 58.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 7.2 t0 84.91 -1.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.14 HG23 ' NE1' ' A' ' 160' ' ' TRP . 8.6 p -60.19 -59.58 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 161' ' ' ARG . . . 9.66 -85.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 157' ' ' VAL . 37.2 m-20 -35.94 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.14 ' NE1' HG23 ' A' ' 157' ' ' VAL . 1.7 p-90 -53.17 -23.65 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.011 ' HB2' HG22 ' A' ' 157' ' ' VAL . 2.0 tmt_? -63.81 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.9 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.5 m120 -52.77 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.922 HD13 ' H ' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -73.1 -42.03 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.922 ' H ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.79 -45.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.222 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.17 -50.97 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -99.8 65.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 0.9 OUTLIER -176.91 35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.978 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 82.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -38.12 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.01 -54.39 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 39.5 t0 -50.26 -41.16 49.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.761 HD12 ' C ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -66.47 -50.51 63.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 12.8 mmt180 -50.26 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.17 -52.49 58.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.8 t30 -37.5 -50.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 1.024 ' O ' HD21 ' A' ' 154' ' ' LEU . 7.8 pt20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.672 HG12 ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -166.83 110.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 145' ' ' LYS . 1.9 mmmt -138.26 149.63 45.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 21.8 pttt -179.3 -169.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -166.95 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 150' ' ' LYS . 14.2 m-20 -152.62 161.76 42.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -43.8 -42.04 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.7 mt-10 -90.62 31.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -164.6 76.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.527 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.1 OUTLIER -127.12 108.33 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -87.99 111.54 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.476 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -114.25 133.18 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.024 HD21 ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -109.83 -176.01 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -49.3 -36.97 22.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t0 -62.18 -0.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 158' ' ' GLY . 1.0 OUTLIER -24.58 -67.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.741 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 34.43 -141.08 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.1 m-20 -68.54 -40.03 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.677 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -41.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.688 ' CB ' HG22 ' A' ' 157' ' ' VAL . 0.8 OUTLIER -56.28 -65.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.4 tptm -25.22 -48.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.507 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 41.5 m-80 -63.36 -60.94 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.754 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.7 pp -79.8 15.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -103.58 -40.92 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -98.44 -39.61 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -90.11 40.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 148' ' ' THR . 78.1 p -133.5 -62.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.0 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -36.94 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.1 mmt -73.47 -53.26 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.5 OUTLIER -50.39 -37.97 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -48.19 60.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -48.23 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 142' ' ' GLN . . . -58.59 -50.31 74.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.0 t30 -37.59 -42.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.826 ' HA ' HD21 ' A' ' 154' ' ' LEU . 4.0 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.801 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -170.58 89.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -106.81 69.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 141.25 28.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.642 1.214 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.5 mt-10 -150.07 15.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.8 m-20 152.04 -172.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 149' ' ' GLU . 9.2 t -63.73 -53.76 46.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.509 ' N ' HG23 ' A' ' 148' ' ' THR . 1.4 mt-10 -73.95 -26.14 60.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 96.9 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -155.38 95.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 19.6 tttt -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.673 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -108.35 144.78 35.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.997 ' O ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -160.48 -165.6 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.514 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -30.02 143.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 81.54 -6.72 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.997 HG13 ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -39.36 -75.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.573 ' H ' HG23 ' A' ' 157' ' ' VAL . . . 34.42 -105.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -78.74 -61.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.801 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -33.55 -44.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.969 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.676 ' HB2' HG12 ' A' ' 157' ' ' VAL . 1.3 ttt180 -70.88 -67.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.68 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.7 m120 -65.4 -75.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.854 HD12 ' CD ' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -49.88 -52.08 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -42.48 -49.33 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.452 ' C ' ' N ' ' A' ' 168' ' ' SER . 14.5 tt0 -70.51 -76.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.19 -31.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 23.0 t -80.66 -58.0 3.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' ASP . 63.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 134' ' ' MET . 8.8 p-10 -37.6 -49.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 135' ' ' ASP . 2.6 ppp? -69.93 -40.36 75.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.3 t70 -55.99 -36.33 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -48.8 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -47.95 -60.02 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.16 -52.27 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 138' ' ' ALA . 38.3 t-20 -38.41 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.002 HG22 ' CE2' ' A' ' 160' ' ' TRP . 50.4 t 53.57 78.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -122.59 91.21 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -105.43 158.09 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -174.9 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 150' ' ' LYS . 53.6 m-20 -161.36 158.27 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -37.54 -43.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.18 -37.14 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.8 OUTLIER -88.55 86.94 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.499 ' CD ' HD13 ' A' ' 164' ' ' ILE . 6.9 tm-20 -162.49 107.92 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -115.3 116.26 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.566 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -113.13 128.69 56.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -107.25 -175.27 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.05 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -47.65 -21.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 157' ' ' VAL . 14.0 t70 -77.39 10.29 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.958 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -34.48 -71.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.722 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 43.4 -141.47 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.25 -31.54 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.002 ' CE2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -48.26 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 107.938 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.958 ' HB3' HG23 ' A' ' 157' ' ' VAL . 1.9 ttt180 -57.83 -62.12 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 161' ' ' ARG . 6.4 tptt -23.71 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' A' ' 165' ' ' GLU . 50.9 m-20 -60.73 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.9 pp -78.32 17.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.68 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.2 tt0 -101.75 -41.3 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -97.36 -40.39 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -79.75 -25.93 40.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 3.2 m -130.45 68.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.2 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -36.87 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtt -74.63 -54.79 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' VAL . 24.0 t0 -48.41 -35.28 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.2 tp -72.57 -51.78 18.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -45.13 -63.76 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.427 1.08 . . . . 0.0 110.348 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.27 -53.41 58.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.1 t30 -36.08 -39.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.8 pt20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.042 HG22 ' NE1' ' A' ' 160' ' ' TRP . 14.1 t 65.69 77.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 151' ' ' GLU . 0.2 OUTLIER -89.2 130.91 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.567 ' HD2' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -148.83 124.18 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.25 14.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.45 ' O ' ' NZ ' ' A' ' 145' ' ' LYS . 1.2 t0 169.67 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.0 t -96.17 -28.77 14.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.09 -18.54 13.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 107.02 19.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -169.32 -179.09 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.71 112.96 1.25 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.463 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -93.45 140.52 29.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.714 HD11 ' H ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -153.47 -170.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.685 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -38.42 94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.685 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 8.2 t70 139.34 -9.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.707 HG22 ' N ' ' A' ' 158' ' ' GLY . 1.1 m -24.66 -63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.707 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 32.26 -134.49 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.91 -39.4 72.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.042 ' NE1' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -43.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.686 ' HD2' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -53.68 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.35 -54.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 165' ' ' GLU . 60.2 m-20 -55.67 -58.63 7.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.742 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.9 pp -81.87 17.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -103.41 -39.77 6.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -29.14 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -19.85 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.9 m -135.57 45.57 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 98.2 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -35.91 -34.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 8.9 mtt -69.11 -59.09 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 27.2 t0 -58.49 -19.55 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.21 -65.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -49.56 -55.97 11.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -53.73 -59.79 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.39 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.4 t30 -48.52 -29.37 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.854 HG13 ' CH2' ' A' ' 160' ' ' TRP . 49.1 t 61.94 130.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 109.373 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -145.84 81.14 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.1 OUTLIER -118.08 145.94 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.2 OUTLIER -115.61 -33.1 5.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.61 -80.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.599 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.2 t -120.44 136.49 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 148' ' ' THR . 4.0 mm-40 70.18 5.14 5.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.599 ' CD ' ' O ' ' A' ' 148' ' ' THR . 0.0 OUTLIER -137.67 95.63 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.515 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -151.79 74.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 143' ' ' VAL . 1.8 ttmt -67.94 109.46 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.656 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -106.79 129.03 54.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -116.07 -173.19 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -49.57 -37.1 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 157' ' ' VAL . 4.0 t70 -62.32 -5.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.97 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -31.4 -69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.801 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 34.94 -134.2 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -61.85 -56.63 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.914 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -33.88 -40.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.972 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.97 ' CB ' HG13 ' A' ' 157' ' ' VAL . 1.3 tmm_? -66.31 -72.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.02 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.6 m-20 -62.78 -79.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.914 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -49.02 -53.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.11 -53.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.3 -53.84 46.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 84.74 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.7 t -170.52 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.462 ' CE ' ' HG3' ' A' ' 134' ' ' MET . 5.4 mttp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 78.4 t -66.38 -64.23 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -37.23 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 131' ' ' LYS . 7.0 mmt -73.76 -55.47 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -48.24 -31.84 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.1 -51.68 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -57.35 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.75 -51.13 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 138' ' ' ALA . 37.9 t-20 -39.29 -56.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 141' ' ' LYS . 0.2 OUTLIER -69.44 -64.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.586 ' CE ' HD12 ' A' ' 154' ' ' LEU . 3.9 tptt -53.24 -105.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.556 ' O ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 73.36 161.81 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.008 ' N ' HD21 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -39.8 113.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -138.94 120.12 14.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 11.1 pttm -147.99 162.16 39.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 0.4 OUTLIER -133.07 -4.01 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 150' ' ' LYS . 2.3 m-20 -168.91 135.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -36.67 -45.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.446 ' OE1' ' CD ' ' A' ' 150' ' ' LYS . 2.3 pt-20 -73.77 -37.03 65.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -103.16 101.88 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.568 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -141.95 163.58 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 108.42 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -94.63 138.88 31.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.008 HD21 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -132.4 -177.97 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -34.83 -47.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.47 ' N ' ' CD ' ' A' ' 155' ' ' ARG . 5.3 t0 -71.44 45.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.016 HG13 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.32 -77.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.859 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 53.01 -142.25 27.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.7 m-20 -65.75 -42.63 90.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.213 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.756 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -40.31 -55.64 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.016 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -60.03 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -28.84 -46.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 m120 -63.12 -83.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -45.0 -54.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -40.67 -52.25 2.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.177 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.76 -51.6 67.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.77 74.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 151' ' ' GLU . 88.6 p -168.41 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -92.53 -55.72 1.64 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.0 ttt -54.73 -26.22 32.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.96 97.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 0.747 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -49.16 -43.9 42.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 174' ' ' LYS . 0.0 OUTLIER -52.38 -26.53 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 6.0 tpp -90.36 -28.05 18.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.683 ' CD1' ' O ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -178.4 73.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 174' ' ' LYS . 20.9 tt0 -37.97 -41.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 60.27 75.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 75.42 158.8 7.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.41 154.79 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 133' ' ' ASN . 95.4 t -64.7 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -35.42 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -75.02 -56.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -48.74 -28.16 3.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.175 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 tp -78.03 -52.56 8.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 4.4 mtt180 -44.48 -55.35 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.861 ' HB2' ' HG3' ' A' ' 155' ' ' ARG . . . -67.47 -51.36 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.9 t-20 -36.23 -57.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -40.71 63.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.483 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 4.1 tptm -79.38 -106.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.509 ' CA ' HD21 ' A' ' 154' ' ' LEU . 19.8 mt-30 66.47 -176.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.871 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -43.44 114.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.617 1.198 . . . . 0.0 109.367 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 2.2 mttm -110.72 66.32 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 3.2 tttt -72.72 119.27 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.4 tm-20 -111.19 10.88 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 3.9 m-20 157.51 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 149' ' ' GLU . 4.4 t -152.62 -51.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 148' ' ' THR . 0.1 OUTLIER -95.89 11.15 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.425 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -131.06 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -108.92 104.72 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.496 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -70.14 110.86 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.856 ' C ' HD13 ' A' ' 154' ' ' LEU . 2.1 p-10 -98.65 136.18 39.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.856 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -153.57 -164.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.861 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -25.53 138.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 26.2 t0 84.75 -5.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.65 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -37.9 -81.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 34.38 -111.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -69.29 -61.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.871 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.46 -32.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.074 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.588 ' HB2' ' CB ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -73.82 -77.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.8 -37.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 161' ' ' ARG . 37.8 m-20 -61.8 -74.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.722 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -58.84 -46.53 91.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.2 tp10 -42.0 -47.12 4.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 167' ' ' LYS . 2.0 mt-10 -91.86 -77.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 166' ' ' GLU . 6.7 ptpt -38.9 -41.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -108.95 65.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -165.23 -66.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.082 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -33.97 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.08 -57.19 13.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.47 -51.77 56.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -51.28 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 177' ' ' PHE . 2.1 mmmm -65.13 -52.19 56.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.39 -29.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.411 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.5 OUTLIER -84.5 -43.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.615 ' CG ' ' O ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -164.23 71.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -38.55 -53.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 48.69 68.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 162.02 165.28 18.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.074 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -102.8 82.22 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.2 tttp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 134' ' ' MET . 59.9 t -63.44 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.3 OUTLIER -38.64 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 132' ' ' VAL . 1.8 mtt -75.91 -54.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 0.4 OUTLIER -48.27 -38.21 18.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.9 tp -70.61 -54.89 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -43.62 -69.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.445 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.9 t30 -40.68 -29.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -82.59 -54.73 4.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.502 ' HE3' HD12 ' A' ' 154' ' ' LEU . 16.6 mtmt -58.56 -87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 143' ' ' VAL . 6.3 mt-30 74.14 65.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.099 HG22 ' CE2' ' A' ' 160' ' ' TRP . 2.2 t 45.06 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -148.56 136.04 20.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -160.97 -160.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.25 -30.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 150' ' ' LYS . 11.9 m-20 -153.18 157.09 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.823 HG21 ' HA3' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -40.63 -43.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -34.21 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -95.54 86.46 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.555 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.1 mt-10 -143.69 142.29 30.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.52 105.5 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.799 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -111.96 143.94 42.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.799 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -124.27 -167.04 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -26.15 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.6 t0 -72.63 1.73 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.01 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -30.23 -72.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 34.54 -137.3 0.24 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -66.93 -47.38 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.099 ' CE2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.04 -68.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.037 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.01 ' HB3' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -52.77 -72.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.94 -51.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 69.8 m-20 -63.08 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.635 HD11 ' HA ' ' A' ' 161' ' ' ARG . 1.7 pp -41.53 -55.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.516 ' CG ' ' HG2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -39.36 -53.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 167' ' ' LYS . 1.7 mm-40 -73.58 -65.33 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 166' ' ' GLU . 10.5 mttt -38.49 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.2 -63.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -43.52 -65.74 1.44 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 26.7 ttm -55.54 -21.94 19.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 0.719 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.23 -51.07 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.823 ' HA3' HG21 ' A' ' 148' ' ' THR . . . -61.87 -35.59 91.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 176' ' ' MET . 37.4 mtt180 -74.66 -70.75 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 0.797 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.19 -38.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 174' ' ' LYS . 1.3 tmpt? -72.52 -44.42 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 173' ' ' ARG . 3.7 tpp -45.1 -50.6 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.86 -65.66 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 179' ' ' ALA . 2.3 tt0 74.89 -3.11 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.63 74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -108.51 -82.9 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.68 88.17 7.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 0.718 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ASN . 56.7 t -65.25 -60.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -36.35 -35.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.21 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.85 -54.07 7.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.7 t0 -47.97 -34.47 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.37 -54.48 7.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 8.1 mmt180 -39.42 -60.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.51 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.7 -56.37 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 138' ' ' ALA . 20.2 t30 -32.42 -40.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -77.48 -55.9 4.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.584 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -126.64 103.91 7.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.634 ' C ' HG12 ' A' ' 143' ' ' VAL . 1.2 pt20 -132.02 -43.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.707 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -164.0 122.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.475 ' HG3' HD12 ' A' ' 154' ' ' LEU . 11.1 mtpt -125.58 88.66 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.7 pttm -140.52 153.34 46.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 5.1 mt-10 -138.77 2.31 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 148' ' ' THR . 0.8 OUTLIER -170.23 134.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 147' ' ' ASP . 1.5 t -27.6 -49.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -72.23 -55.24 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -71.03 80.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.613 ' OE1' HD12 ' A' ' 164' ' ' ILE . 2.7 tt0 -124.01 125.54 44.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -113.64 109.68 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.492 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -98.24 114.2 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.609 HD11 ' C ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -95.46 174.43 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.471 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -38.38 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.7 t70 75.0 2.01 3.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.759 HG23 ' HB3' ' A' ' 161' ' ' ARG . 1.7 m -26.32 -55.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.552 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 40.38 -146.63 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.92 -36.29 83.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.707 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -42.42 -61.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 107.967 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.759 ' HB3' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -65.84 -68.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.553 ' C ' ' O ' ' A' ' 161' ' ' ARG . 11.9 tptt -28.04 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 60.1 m-20 -64.21 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.679 HD13 ' CH2' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -47.26 -53.45 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -41.82 -49.77 4.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.363 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.13 -73.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' GLY . 3.8 ptpt -49.25 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.2 m -65.37 74.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . 172.85 -64.47 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 31.3 ttp -56.42 -32.64 65.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.37 -60.8 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -56.76 -52.06 53.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.441 1.088 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.61 -51.76 5.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 0.749 . . . . 0.0 110.352 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 177' ' ' PHE . 2.0 mmmm -65.49 -52.32 53.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -29.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -84.86 -44.16 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.611 ' CG ' ' O ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -163.81 71.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' PHE . 1.3 mp0 -38.44 -51.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 46.98 78.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -118.28 -173.0 15.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.41 94.21 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 133' ' ' ASN . 74.3 t -64.0 -63.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -32.65 -40.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtm -68.94 -60.43 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 15.6 t0 -51.29 -24.56 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -70.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -58.46 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 155' ' ' ARG . . . -52.98 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 13.9 t30 -41.55 -31.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 138' ' ' ALA . 2.0 mp -75.63 -87.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.482 ' CD ' ' HG ' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -60.92 -62.01 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.439 ' H ' ' CG ' ' A' ' 141' ' ' LYS . 0.1 OUTLIER 69.87 -56.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.218 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.615 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -150.43 121.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 141' ' ' LYS . 1.0 OUTLIER -121.45 78.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HD3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -137.25 155.39 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.2 OUTLIER -154.31 18.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.0 m-20 153.89 162.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -37.39 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -89.58 25.08 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -163.3 86.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.56 ' CG ' HD13 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -141.89 111.52 6.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 4.3 tttt -115.82 103.51 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.52 ' OD1' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -100.44 123.51 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -122.35 177.36 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -31.53 140.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 157' ' ' VAL . 6.0 t70 84.08 8.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.7 OUTLIER -30.41 -53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.547 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 41.74 -151.16 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.9 m-20 -60.48 -38.09 83.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.679 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -41.33 -62.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -63.57 -70.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.8 ttmt -25.24 -54.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 165' ' ' GLU . 66.0 m-20 -54.7 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.679 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 2.2 pp -74.29 7.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -92.73 -38.27 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -47.05 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 2.0 ptpt -90.15 61.72 5.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.9 p -151.41 -73.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -65.28 -58.11 10.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.4 tpp -45.16 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.18 54.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.14 76.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 176' ' ' MET . 2.2 mtt180 -71.3 -64.25 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 173' ' ' ARG . 38.9 mmtt -38.68 -35.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.412 ' HE2' ' N ' ' A' ' 176' ' ' MET . 1.7 tmpt? -75.28 -49.52 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 173' ' ' ARG . 8.7 tpp -42.27 -50.14 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -96.2 -65.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 180' ' ' GLY . 0.8 OUTLIER 75.95 -5.02 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 38.09 -97.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 178' ' ' GLU . . . 149.37 -100.13 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -39.26 -59.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.227 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.921 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.5 pttt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.565 HG23 ' H ' ' A' ' 133' ' ' ASN . 15.0 m -47.63 -58.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.565 ' H ' HG23 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.7 -61.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 15.1 mtt -54.2 -47.44 72.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 132' ' ' VAL . 45.7 t0 -51.89 -36.26 48.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.71 -51.93 14.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.7 mtt85 -48.79 -58.56 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.21 -56.73 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.5 t-20 -33.77 -47.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.27 -66.37 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.6 ' HG3' HD12 ' A' ' 154' ' ' LEU . 16.3 tttt -106.75 128.93 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.496 ' HA ' HD21 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 173.98 106.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.735 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER 43.22 94.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 73.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -115.94 154.61 29.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 10.9 tt0 -144.39 11.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.2 m-20 153.96 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -51.39 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.712 ' H ' HG23 ' A' ' 148' ' ' THR . 1.7 pt-20 -69.65 58.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER 177.67 74.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.645 ' CD ' HD12 ' A' ' 164' ' ' ILE . 1.1 tt0 -140.04 109.19 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 141' ' ' LYS . 1.6 tttt -94.69 105.36 17.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -105.09 118.53 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.735 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -109.41 179.4 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -35.82 -48.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 12.7 t0 -69.62 56.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.067 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t -85.86 -63.92 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.688 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 39.94 -140.2 0.94 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 160' ' ' TRP . 4.5 t70 -63.52 -49.84 71.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.645 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.07 -47.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.046 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.067 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -65.66 -67.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.3 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.3 m-20 -66.79 -79.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.645 HD12 ' CD ' ' A' ' 151' ' ' GLU . 0.7 OUTLIER -45.09 -54.45 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -44.5 -49.05 10.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 167' ' ' LYS . 3.6 mt-10 -68.35 -78.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 168' ' ' SER . 12.2 ptpt -38.81 -56.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 5.7 t -61.21 -55.32 33.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . -40.6 -60.87 1.99 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 4.1 mtp -38.1 -66.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.99 -38.87 73.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -50.48 -53.37 24.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.8 OUTLIER -67.4 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 173' ' ' ARG . 34.2 mmtt -39.06 -34.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.1 OUTLIER -75.42 -49.33 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 173' ' ' ARG . 12.2 tpt -42.75 -50.13 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -96.26 -64.8 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 179' ' ' ALA . 0.4 OUTLIER 74.56 -2.87 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.83 58.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -150.62 111.31 0.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -157.78 125.9 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.313 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HG2' ' CG ' ' A' ' 134' ' ' MET . 7.6 tttt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 74.7 t -66.4 -62.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -38.31 -31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.459 ' CG ' ' HG2' ' A' ' 131' ' ' LYS . 2.3 mmt -75.77 -55.69 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 4.7 t0 -46.04 -46.81 16.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.66 -61.49 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.8 -76.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -43.4 -63.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' ALA . 14.1 t30 -36.56 -35.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 138' ' ' ALA . 2.2 mp -81.68 -76.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.878 ' HG2' HD12 ' A' ' 154' ' ' LEU . 1.0 OUTLIER -52.39 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.695 ' C ' HG13 ' A' ' 143' ' ' VAL . 5.9 pt20 33.68 72.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.695 HG13 ' C ' ' A' ' 142' ' ' GLN . 2.0 m 59.05 113.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 151' ' ' GLU . 22.4 mmtt -122.93 135.42 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -170.96 140.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -124.3 2.95 8.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -75.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.5 OUTLIER -168.36 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 148' ' ' THR . 1.7 pt-20 -77.59 1.82 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -134.28 94.72 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.576 ' HB3' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -157.37 154.19 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.79 112.95 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.473 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -94.08 130.22 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.878 HD12 ' HG2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -103.73 -178.39 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -50.28 -21.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.2 t0 -78.13 10.37 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.138 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -35.97 -75.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.706 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 42.61 -132.95 4.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.389 1.055 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 8.2 m-20 -70.36 -47.08 62.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.688 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.3 -53.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.138 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -62.36 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.6 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.2 tppt? -23.31 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 73.7 m-20 -61.36 -65.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.842 ' O ' HD12 ' A' ' 164' ' ' ILE . 2.1 pp -79.85 24.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.5 tm-20 -111.89 -40.6 4.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.46 ' CG ' ' OE1' ' A' ' 165' ' ' GLU . 1.3 mm-40 -105.17 -35.18 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -90.18 -7.31 53.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.444 ' OG ' ' CE ' ' A' ' 167' ' ' LYS . 11.3 m -138.48 71.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -173.05 -59.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.7 ttt -51.04 -25.5 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.401 ' OE1' HG21 ' A' ' 148' ' ' THR . 3.1 mt-10 -60.08 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -51.9 -31.65 32.33 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -59.19 -71.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.39 0.7 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -52.79 -25.08 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.62 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.23 -22.34 44.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 173' ' ' ARG . 4.6 tpp -91.34 -13.66 32.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -173.35 57.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 174' ' ' LYS . 7.2 pt-20 -31.95 91.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -69.84 61.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -80.5 115.23 4.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.6 66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.175 . . . . 0.0 109.937 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.9 t -61.22 -66.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -36.48 -33.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -69.0 -60.03 2.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 1.2 m-20 -57.22 -21.93 37.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -71.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -46.43 -57.13 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.05 -59.47 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.5 t30 -44.57 -32.39 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -74.87 -80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.679 ' HG3' HD12 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -38.52 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 143' ' ' VAL . 4.3 mm100 68.73 64.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.808 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 42.26 93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 144.1 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.518 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -168.1 163.33 13.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -145.95 15.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 167.57 -158.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.8 t -89.86 -41.71 11.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.12 27.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.75 62.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.657 ' CD ' HD13 ' A' ' 164' ' ' ILE . 3.0 tm-20 -118.88 139.23 51.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -127.1 97.93 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.665 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -106.17 132.01 52.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.833 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -117.21 -176.45 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -20.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 110.376 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' VAL . 9.3 t70 -78.23 10.27 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.074 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -38.48 -76.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.753 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 46.67 -130.14 11.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 160' ' ' TRP . 12.0 p-10 -75.46 -45.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.808 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -39.78 -52.47 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.074 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.15 -58.67 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -29.01 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.0 m-80 -80.06 -61.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.88 ' O ' HD12 ' A' ' 164' ' ' ILE . 2.3 pp -84.11 31.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -137.47 -38.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 10.5 tp10 -94.12 -29.59 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 168' ' ' SER . 21.1 mttt -88.79 -78.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 167' ' ' LYS . 19.3 m -37.04 -52.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -50.65 -63.53 4.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 30.5 mtm -58.86 -65.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.774 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 8.3 mt-10 -40.12 -36.41 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.43 -59.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -55.52 -18.87 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.241 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.51 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 2.7 mmmt -86.16 -37.51 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 171' ' ' GLU . 0.0 OUTLIER -84.66 -4.19 58.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.558 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 8.9 ptm -101.68 -44.14 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.656 ' O ' ' C ' ' A' ' 178' ' ' GLU . 0.1 OUTLIER -101.32 -9.46 21.17 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 177' ' ' PHE . 1.3 tt0 11.51 68.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.523 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -130.05 47.15 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -163.78 162.58 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.63 162.36 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.974 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -50.59 -50.37 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.488 ' N ' ' CG1' ' A' ' 132' ' ' VAL . 4.4 p30 -38.79 -49.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.433 ' CG ' ' OD1' ' A' ' 133' ' ' ASN . 4.5 mtt -67.04 -43.48 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 33.4 t0 -55.04 -37.14 66.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 136' ' ' LEU . 1.3 tm? -70.37 -68.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -39.16 -57.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' GLN . . . -60.3 -38.67 84.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 8.1 t30 -71.46 -6.59 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 -56.6 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.742 ' HB3' HD12 ' A' ' 154' ' ' LEU . 9.4 mtpp -85.35 -58.58 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.815 ' O ' HD21 ' A' ' 154' ' ' LEU . 1.4 pt20 43.21 -94.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.649 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -139.13 109.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.511 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -99.88 78.3 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 132.54 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -155.34 19.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 157.04 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 149' ' ' GLU . 9.0 t -67.58 -52.02 43.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 148' ' ' THR . 10.7 mt-10 -81.22 -20.9 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 150' ' ' LYS . 2.7 mmtt -87.22 101.1 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -169.16 58.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.511 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 1.5 tptt -50.84 117.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.462 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -104.21 132.3 50.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.815 HD21 ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -124.98 -178.67 4.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -32.17 -56.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.561 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 20.2 t0 -67.51 59.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.103 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -86.39 -60.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.64 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 38.67 -140.98 0.51 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -64.09 -49.29 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.649 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.45 -43.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.103 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.2 OUTLIER -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.0 tptt -28.55 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -66.31 -79.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.6 HG12 ' CE3' ' A' ' 160' ' ' TRP . 1.2 pp -46.44 -53.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -43.9 -48.93 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 170' ' ' MET . 0.5 OUTLIER -70.68 -79.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -48.77 -96.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.417 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 4.0 m -63.85 75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . 168.71 -53.08 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.494 ' CB ' ' O ' ' A' ' 166' ' ' GLU . 0.2 OUTLIER -55.12 -31.97 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 0.725 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.5 -54.03 51.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -61.23 -54.26 37.85 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -51.34 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 177' ' ' PHE . 8.5 mmtt -65.24 -52.45 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -28.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.44 ' N ' ' C ' ' A' ' 174' ' ' LYS . 1.4 tpp -85.49 -42.69 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CG ' ' O ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -166.13 70.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -47.72 -41.9 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 61.62 121.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.364 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -127.55 89.41 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -90.73 -61.32 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 tttp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.0 t -65.8 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -37.11 -33.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.454 ' CE ' ' CZ ' ' A' ' 137' ' ' ARG . 2.5 mmt -77.02 -53.22 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -46.98 -51.76 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.83 78.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.454 ' CZ ' ' CE ' ' A' ' 134' ' ' MET . 1.9 ttp180 -42.17 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.505 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -53.59 -52.59 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' ALA . 18.8 t30 -37.58 -33.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 138' ' ' ALA . 8.5 tp -81.63 -49.7 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.575 ' HE3' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -120.59 125.55 48.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.547 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.3 OUTLIER 177.28 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 110.28 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.782 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.5 OUTLIER 48.41 101.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.54 80.43 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.759 ' HD3' HG21 ' A' ' 164' ' ' ILE . 4.1 pttm -131.94 164.7 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.17 20.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.9 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 149' ' ' GLU . 8.6 t -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.52 ' N ' HG23 ' A' ' 148' ' ' THR . 3.9 mt-10 -71.31 -53.99 12.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 89.23 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.2 tm-20 -150.03 128.97 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -121.05 107.73 12.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -100.65 105.51 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.782 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -98.91 -172.57 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -45.51 171.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.507 ' O ' ' C ' ' A' ' 157' ' ' VAL . 10.2 t0 64.96 5.29 2.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.923 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.8 OUTLIER -31.15 -61.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.682 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 41.26 -135.63 2.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -67.74 -48.7 65.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.663 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.23 -52.05 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 107.981 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.923 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.73 -66.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.0 tmmt? -30.98 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 161' ' ' ARG . 61.6 m-20 -73.15 -61.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.783 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.5 pp -78.06 10.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -117.64 -22.77 7.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.567 1.167 . . . . 0.0 110.251 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -97.19 -56.82 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 10.9 pttt -83.06 -35.33 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -102.51 62.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -170.94 -78.27 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.409 1.068 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 174' ' ' LYS . 3.5 ttt -54.32 -27.75 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -61.1 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -57.78 -52.05 54.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.416 1.073 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.43 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 170' ' ' MET . 16.8 mmtm -62.67 -48.22 80.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -31.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -41.75 17.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -166.0 73.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 177' ' ' PHE . 5.8 mt-10 -35.86 -57.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 60.02 88.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -50.5 120.08 8.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.97 98.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.934 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 133' ' ' ASN . 53.7 t -64.48 -60.22 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -35.1 -37.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.0 mmt -74.14 -53.75 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 11.9 t70 -49.27 -40.53 34.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -53.12 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 9.5 mmt180 -43.87 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -58.54 -51.97 67.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.7 t30 -38.08 -35.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.3 OUTLIER -79.39 -49.19 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.734 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -123.24 129.99 52.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.854 ' HA ' HD21 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -171.88 -39.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.779 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -173.77 84.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 2.9 mtpt -94.38 81.8 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.434 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -97.02 132.48 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -154.73 19.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.5 OUTLIER 156.2 -169.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 149' ' ' GLU . 7.8 t -67.63 -53.7 25.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.512 ' N ' HG23 ' A' ' 148' ' ' THR . 0.2 OUTLIER -85.62 6.7 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 147' ' ' ASP . 7.3 mmtp -115.06 103.01 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.506 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -172.26 58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 4.9 mttt -45.7 113.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.754 ' C ' HD13 ' A' ' 154' ' ' LEU . 1.5 p-10 -109.31 150.83 27.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.854 HD21 ' HA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -168.13 -163.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 154' ' ' LEU . 6.7 ptm180 -25.3 137.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 83.44 -5.85 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.642 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -35.53 -77.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 35.86 -118.38 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.27 -58.92 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.779 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.9 -31.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 165' ' ' GLU . 6.1 tmm_? -73.84 -70.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.14 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -69.82 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.718 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -81.3 13.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.7 tp10 -106.2 -43.28 4.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.76 -37.91 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -71.81 -49.01 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -39.26 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -36.93 -64.12 0.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 171' ' ' GLU . 3.7 mtt -38.78 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 172' ' ' GLY . 17.2 pt-20 -37.91 -44.15 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 171' ' ' GLU . . . -48.08 -54.29 12.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 176' ' ' MET . 5.4 mtm180 -68.44 -60.09 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.496 ' O ' ' CA ' ' A' ' 178' ' ' GLU . 4.9 mmmt -40.43 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.398 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.3 OUTLIER -81.41 -48.4 11.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.122 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 173' ' ' ARG . 9.8 tpp -45.41 -44.89 12.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 178' ' ' GLU . 9.9 m-85 -105.0 -57.61 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 179' ' ' ALA . 4.2 pt-20 51.22 15.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.557 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 27.76 60.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.41 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -116.47 -83.83 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -134.75 84.75 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 134' ' ' MET . 58.1 t -67.26 -68.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -37.1 -32.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.7 mmt -70.84 -54.87 9.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 132' ' ' VAL . 2.0 t0 -51.6 -34.73 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.92 -44.22 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -53.46 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.79 -47.02 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.4 t-20 -38.01 -63.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.48 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.4 -138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.57 ' CB ' ' O ' ' A' ' 141' ' ' LYS . 4.1 mt-30 91.73 53.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.12 HG13 ' CH2' ' A' ' 160' ' ' TRP . 55.4 t 67.91 119.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 8.9 pttp -155.34 100.18 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -130.95 162.44 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -145.53 12.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.495 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 0.6 OUTLIER 157.61 -167.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -48.57 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.681 ' H ' HG23 ' A' ' 148' ' ' THR . 2.2 mm-40 -43.52 -63.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.27 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.636 ' CG ' HD13 ' A' ' 164' ' ' ILE . 4.8 tm-20 -156.77 111.47 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 4.6 mmtp -103.65 103.81 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.757 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -99.31 143.89 29.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -162.39 -164.55 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -28.62 135.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 14.3 t0 86.74 -6.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.729 HG11 ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -36.21 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 36.03 -119.96 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 160' ' ' TRP . 19.3 m-20 -66.89 -59.86 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 0.726 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.12 ' CH2' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -35.62 -36.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.586 ' HB2' ' CB ' ' A' ' 157' ' ' VAL . 61.3 ttt180 -72.62 -77.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.4 tmtt? -31.36 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.8 m-80 -61.62 -75.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.636 HD13 ' CG ' ' A' ' 151' ' ' GLU . 1.2 pp -56.07 -48.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -39.86 -50.55 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.14 -75.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -41.17 -59.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.458 ' N ' ' CG ' ' A' ' 167' ' ' LYS . 6.1 m -81.05 56.56 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 179.52 -74.81 0.06 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -37.0 7.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.794 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.488 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 7.3 mm-40 -57.7 -81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 171' ' ' GLU . . . -36.49 -41.63 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 176' ' ' MET . 2.7 mtt180 -52.78 -62.03 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.57 ' O ' ' CA ' ' A' ' 178' ' ' GLU . 4.6 mmmt -61.5 -18.32 58.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 171' ' ' GLU . 0.0 OUTLIER -88.74 -10.52 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 4.6 ptm -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 1.164 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -115.82 -21.23 9.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 4.7 tt0 30.09 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 1.164 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -150.87 103.34 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.51 143.5 10.41 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.22 100.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.734 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' HG2' ' CG ' ' A' ' 134' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 134' ' ' MET . 32.3 t -65.42 -67.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -37.71 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.2 mmt -71.95 -54.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -51.89 -31.97 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 24.6 tp -72.21 -49.21 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 5.1 mtt180 -48.41 -56.36 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -67.36 -46.9 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.8 t30 -39.31 -41.82 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.04 -36.29 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.695 ' CE ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -114.32 99.71 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.393 1.058 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' ' 141' ' ' LYS . 1.0 OUTLIER 178.89 48.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.045 HG13 ' CE2' ' A' ' 160' ' ' TRP . 58.0 t 67.9 73.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.47 ' CD ' ' HB2' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -136.42 120.28 17.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.532 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 3.0 pttm -147.1 155.91 42.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -140.33 9.31 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.427 ' HB3' ' CD ' ' A' ' 150' ' ' LYS . 5.1 t0 172.08 -149.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -70.44 -98.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.688 ' H ' HG23 ' A' ' 148' ' ' THR . 0.0 OUTLIER -36.66 -49.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.427 ' CD ' ' HB3' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -65.52 74.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.395 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.649 ' HG2' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -138.33 90.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.47 ' HB2' ' CD ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.98 102.97 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.975 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -107.31 145.44 32.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.975 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -144.16 -172.81 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -41.5 -39.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.472 ' OD1' HG21 ' A' ' 143' ' ' VAL . 12.2 t70 -66.15 -2.58 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -37.98 -71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.699 ' H ' HG23 ' A' ' 157' ' ' VAL . . . 42.93 -130.6 5.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.0 p-10 -69.3 -49.49 55.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 0.743 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.045 ' CE2' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.45 -59.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.645 ' O ' ' N ' ' A' ' 165' ' ' GLU . 12.7 ttp180 -58.84 -72.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.618 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.4 tptp -22.35 -53.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 77.4 m-20 -54.58 -65.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.79 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.5 pp -76.21 5.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 161' ' ' ARG . 15.4 tp10 -84.95 -44.35 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -102.02 -45.43 5.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.641 ' NZ ' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -67.32 -9.49 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 87.17 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 157.42 -64.11 0.31 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.2 tpp -40.93 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.73 -34.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 175' ' ' LYS . . . -68.09 -62.54 4.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.545 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -55.47 -16.78 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.6 mtmt -84.91 -44.23 13.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.486 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.3 OUTLIER -82.14 -2.46 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.569 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 3.8 ptm -100.27 -45.48 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 1.205 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -97.98 -11.03 23.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.542 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER 28.02 86.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.24 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 1.205 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -148.6 -178.57 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 84.22 167.33 42.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -106.96 -49.35 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 135' ' ' ASP . 78.2 t -54.04 -57.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 9.8 p-10 -37.65 -46.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.478 ' N ' ' CG ' ' A' ' 133' ' ' ASN . 15.5 mmt -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -48.5 -49.29 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 0.5 OUTLIER -68.6 -45.58 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 1.6 mmt85 -46.07 -57.48 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -70.48 -43.87 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' LEU . 26.5 t30 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mp -88.82 -33.89 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.573 ' CE ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -114.24 93.25 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.606 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -179.71 93.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.725 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.7 OUTLIER 52.15 103.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.3 OUTLIER -107.91 64.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 156.06 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.47 -40.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 149' ' ' GLU . 26.3 m-20 -162.61 158.85 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.517 ' O ' ' CA ' ' A' ' 168' ' ' SER . 0.6 OUTLIER -39.39 -27.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.387 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 147' ' ' ASP . 22.5 pt-20 -104.84 -37.26 7.09 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -82.93 122.34 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 151' ' ' GLU . 1.9 pp20? 177.47 112.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -85.86 116.49 24.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.557 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -97.31 104.67 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.393 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.725 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -105.19 -176.63 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.497 ' O ' HD23 ' A' ' 154' ' ' LEU . 1.9 ptm180 -36.13 152.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 157' ' ' VAL . 2.5 t70 77.13 1.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.689 HG23 ' HB3' ' A' ' 161' ' ' ARG . 1.7 m -25.04 -58.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.616 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 38.29 -147.55 0.11 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -34.22 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.666 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -44.71 -50.32 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 107.955 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.689 ' HB3' HG23 ' A' ' 157' ' ' VAL . 55.6 ttt180 -68.12 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -38.37 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 160' ' ' TRP . 12.1 m-80 -70.63 -74.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -79.81 23.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.172 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 161' ' ' ARG . 15.0 tt0 -118.95 -33.42 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -98.79 -37.92 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -95.9 -31.68 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.517 ' CA ' ' O ' ' A' ' 148' ' ' THR . 1.8 m -112.88 48.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -160.35 -56.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -33.7 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.67 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -40.62 -38.62 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -50.93 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -53.18 -30.45 37.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.405 ' HE2' ' CA ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -69.07 -20.92 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 176' ' ' MET . 2.6 tpt -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.708 ' CD1' ' O ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -177.59 66.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 179' ' ' ALA . 29.4 tt0 -37.89 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 178' ' ' GLU . . . 74.33 56.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 177.26 179.93 47.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 47.81 94.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 133' ' ' ASN . 76.8 t -60.52 -59.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 134' ' ' MET . 9.8 p-10 -37.24 -43.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.438 ' N ' ' CG ' ' A' ' 133' ' ' ASN . 84.9 mmm -66.22 -50.53 63.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 13.1 t70 -52.53 -34.5 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 29.8 tp -70.71 -51.07 29.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -48.29 -60.13 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 142' ' ' GLN . . . -61.98 -61.77 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.2 t30 -37.79 -33.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 138' ' ' ALA . 12.9 mt -82.98 -76.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.703 ' HE2' HD12 ' A' ' 154' ' ' LEU . 21.9 mtpt -54.88 -67.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.667 ' C ' HG13 ' A' ' 143' ' ' VAL . 4.6 pt20 32.03 85.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.43 1.082 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.829 HG12 ' CD1' ' A' ' 160' ' ' TRP . 1.3 m 61.53 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 4.0 mmtt -129.13 60.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -67.06 143.01 56.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.2 mt-10 -149.04 14.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.1 m-20 151.76 142.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.7 t -46.39 -32.12 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.523 ' O ' ' CE ' ' A' ' 150' ' ' LYS . 0.5 OUTLIER -105.38 35.22 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -172.54 105.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.16 104.05 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -68.7 114.28 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.989 ' HB2' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -103.23 121.04 41.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.704 HD21 ' H ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -112.25 -170.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -62.57 139.89 58.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 7.2 t0 84.91 -1.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.14 HG23 ' NE1' ' A' ' 160' ' ' TRP . 8.6 p -60.19 -59.58 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 161' ' ' ARG . . . 9.66 -85.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 157' ' ' VAL . 37.2 m-20 -35.94 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.14 ' NE1' HG23 ' A' ' 157' ' ' VAL . 1.7 p-90 -53.17 -23.65 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.011 ' HB2' HG22 ' A' ' 157' ' ' VAL . 2.0 tmt_? -63.81 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.9 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.5 m120 -52.77 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.922 HD13 ' H ' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -73.1 -42.03 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.922 ' H ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.79 -45.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.222 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.17 -50.97 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -99.8 65.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 0.9 OUTLIER -176.91 35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.978 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 160.61 -54.87 0.33 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -31.59 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 111.04 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -59.87 -53.59 56.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.12 -56.36 22.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -41.69 -51.54 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 176' ' ' MET . 21.2 mmtm -65.01 -52.41 56.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -29.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.44 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.6 OUTLIER -85.24 -43.97 13.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.61 ' CG ' ' O ' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -164.22 71.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.27 97.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -104.21 73.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -158.36 105.6 0.27 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.41 118.09 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 82.6 t -72.53 -68.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -38.12 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.01 -54.39 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 39.5 t0 -50.26 -41.16 49.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.761 HD12 ' C ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -66.47 -50.51 63.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 12.8 mmt180 -50.26 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.17 -52.49 58.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.8 t30 -37.5 -50.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -55.52 25.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HG3' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -122.74 111.36 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 1.024 ' O ' HD21 ' A' ' 154' ' ' LEU . 7.8 pt20 -152.83 -43.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.672 HG12 ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -166.83 110.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 145' ' ' LYS . 1.9 mmmt -138.26 149.63 45.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 21.8 pttt -179.3 -169.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -166.95 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 150' ' ' LYS . 14.2 m-20 -152.62 161.76 42.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -43.8 -42.04 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.7 mt-10 -90.62 31.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -164.6 76.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.527 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.1 OUTLIER -127.12 108.33 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -87.99 111.54 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.476 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -114.25 133.18 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.024 HD21 ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -109.83 -176.01 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -49.3 -36.97 22.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t0 -62.18 -0.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 158' ' ' GLY . 1.0 OUTLIER -24.58 -67.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.741 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 34.43 -141.08 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.1 m-20 -68.54 -40.03 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.677 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -41.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.688 ' CB ' HG22 ' A' ' 157' ' ' VAL . 0.8 OUTLIER -56.28 -65.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.4 tptm -25.22 -48.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.507 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 41.5 m-80 -63.36 -60.94 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.754 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.7 pp -79.8 15.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -103.58 -40.92 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -98.44 -39.61 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -90.11 40.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 148' ' ' THR . 78.1 p -133.5 -62.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.73 -83.06 0.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.4 ttp -44.98 -26.35 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 0.715 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -70.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -45.28 -32.54 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -74.22 -68.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 0.734 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -45.45 -25.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -83.87 -39.49 19.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.561 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 5.2 ptm -53.3 -44.81 68.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.588 ' CE1' ' HA ' ' A' ' 174' ' ' LYS . 0.1 OUTLIER -98.77 -15.86 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.941 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.555 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER 27.65 79.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.225 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.47 ' O ' ' CE2' ' A' ' 177' ' ' PHE . . . -168.61 64.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 158.95 146.06 4.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -114.2 160.76 18.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.952 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.469 ' HG2' ' CG ' ' A' ' 134' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.0 t -64.22 -63.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -36.94 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.469 ' CG ' ' HG2' ' A' ' 131' ' ' LYS . 3.1 mmt -73.47 -53.26 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.5 OUTLIER -50.39 -37.97 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -48.19 60.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -48.23 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -58.59 -50.31 74.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.0 t30 -37.59 -42.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.69 -47.34 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.802 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -124.68 120.78 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.826 ' HA ' HD21 ' A' ' 154' ' ' LEU . 4.0 pt20 -164.0 -41.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.801 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -170.58 89.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -106.81 69.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 141.25 28.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.642 1.214 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.5 mt-10 -150.07 15.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.8 m-20 152.04 -172.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 149' ' ' GLU . 9.2 t -63.73 -53.76 46.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.509 ' N ' HG23 ' A' ' 148' ' ' THR . 1.4 mt-10 -73.95 -26.14 60.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 96.9 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -155.38 95.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.494 ' HG2' ' CE ' ' A' ' 141' ' ' LYS . 19.6 tttt -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.673 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -108.35 144.78 35.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.997 ' O ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -160.48 -165.6 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.514 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -30.02 143.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 81.54 -6.72 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.997 HG13 ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -39.36 -75.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.573 ' H ' HG23 ' A' ' 157' ' ' VAL . . . 34.42 -105.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -78.74 -61.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.801 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -33.55 -44.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.969 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.676 ' HB2' HG12 ' A' ' 157' ' ' VAL . 1.3 ttt180 -70.88 -67.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.68 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.7 m120 -65.4 -75.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.854 HD12 ' CD ' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -49.88 -52.08 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -42.48 -49.33 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.452 ' C ' ' N ' ' A' ' 168' ' ' SER . 14.5 tt0 -70.51 -76.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.19 -31.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 23.0 t -80.66 -58.0 3.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 171' ' ' GLU . . . -54.71 -64.62 4.17 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.01 -27.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 169' ' ' GLY . 0.7 OUTLIER -76.88 -54.08 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -54.73 -27.96 44.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -81.4 -61.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 173' ' ' ARG . 25.1 mmmt -39.89 -42.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.19 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -75.47 -38.74 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.8 OUTLIER -53.3 -51.38 62.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -96.53 -63.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 179' ' ' ALA . 2.1 mt-10 73.46 -2.6 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.15 50.3 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 43.5 74.42 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.0 83.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.182 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 134' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' ASP . 63.0 t -79.21 -66.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 134' ' ' MET . 8.8 p-10 -37.6 -49.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 135' ' ' ASP . 2.6 ppp? -69.93 -40.36 75.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.3 t70 -55.99 -36.33 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -48.8 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -47.95 -60.02 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -59.16 -52.27 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 138' ' ' ALA . 38.3 t-20 -38.41 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.0 -32.07 52.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.554 ' NZ ' HD12 ' A' ' 154' ' ' LEU . 13.5 tttm -85.97 -116.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 13.6 pt20 35.57 91.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.002 HG22 ' CE2' ' A' ' 160' ' ' TRP . 50.4 t 53.57 78.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -122.59 91.21 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -105.43 158.09 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -174.9 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 150' ' ' LYS . 53.6 m-20 -161.36 158.27 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -37.54 -43.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.18 -37.14 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.8 OUTLIER -88.55 86.94 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.499 ' CD ' HD13 ' A' ' 164' ' ' ILE . 6.9 tm-20 -162.49 107.92 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.501 ' CG ' ' CE ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -115.3 116.26 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.566 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -113.13 128.69 56.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -107.25 -175.27 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.05 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -47.65 -21.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 157' ' ' VAL . 14.0 t70 -77.39 10.29 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.958 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -34.48 -71.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.722 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 43.4 -141.47 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.25 -31.54 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.002 ' CE2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -48.26 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 107.938 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.958 ' HB3' HG23 ' A' ' 157' ' ' VAL . 1.9 ttt180 -57.83 -62.12 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 161' ' ' ARG . 6.4 tptt -23.71 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' A' ' 165' ' ' GLU . 50.9 m-20 -60.73 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.9 pp -78.32 17.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.68 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.2 tt0 -101.75 -41.3 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -97.36 -40.39 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -79.75 -25.93 40.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 3.2 m -130.45 68.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.62 -63.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 10.7 mtt -65.97 -49.03 69.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.29 -35.84 51.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -71.55 -52.72 11.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -59.77 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.496 ' HB3' ' CG ' ' A' ' 178' ' ' GLU . 8.3 mmtm -58.76 -46.84 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.431 ' HD2' ' C ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -45.58 -33.76 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -38.97 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.649 ' CG ' ' O ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -169.76 76.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.496 ' CG ' ' HB3' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -40.69 104.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -101.78 94.1 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 182' ' ' SER . . . -92.26 94.28 1.89 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.16 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 0.724 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 180' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.974 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.2 t -65.13 -62.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.2 OUTLIER -36.87 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtt -74.63 -54.79 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' VAL . 24.0 t0 -48.41 -35.28 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.2 tp -72.57 -51.78 18.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -45.13 -63.76 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.427 1.08 . . . . 0.0 110.348 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -59.27 -53.41 58.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.1 t30 -36.08 -39.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -51.33 14.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.833 ' HG2' HD12 ' A' ' 154' ' ' LEU . 1.5 mttp -123.14 126.82 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.8 pt20 -175.66 54.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.042 HG22 ' NE1' ' A' ' 160' ' ' TRP . 14.1 t 65.69 77.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 151' ' ' GLU . 0.2 OUTLIER -89.2 130.91 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.567 ' HD2' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -148.83 124.18 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.25 14.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.45 ' O ' ' NZ ' ' A' ' 145' ' ' LYS . 1.2 t0 169.67 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.0 t -96.17 -28.77 14.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.09 -18.54 13.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 107.02 19.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -169.32 -179.09 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.71 112.96 1.25 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.463 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -93.45 140.52 29.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.833 HD12 ' HG2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -153.47 -170.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.685 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -38.42 94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.685 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 8.2 t70 139.34 -9.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.707 HG22 ' N ' ' A' ' 158' ' ' GLY . 1.1 m -24.66 -63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.707 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 32.26 -134.49 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.91 -39.4 72.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.042 ' NE1' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -43.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.686 ' HD2' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -53.68 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.35 -54.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 165' ' ' GLU . 60.2 m-20 -55.67 -58.63 7.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.742 HD12 ' C ' ' A' ' 164' ' ' ILE . 1.9 pp -81.87 17.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -103.41 -39.77 6.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -29.14 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -19.85 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.9 m -135.57 45.57 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -156.59 -63.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -29.02 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.46 -61.14 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.1 -50.5 58.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.609 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mtm-85 -47.64 -53.82 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 178' ' ' GLU . 21.7 mmtm -64.59 -34.16 77.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.435 ' C ' ' CE ' ' A' ' 175' ' ' LYS . 0.9 OUTLIER -67.29 -18.69 65.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.42 ' HB3' ' O ' ' A' ' 173' ' ' ARG . 0.0 OUTLIER -84.92 -54.32 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 173' ' ' ARG . 16.1 p90 -121.51 -30.72 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.69 ' O ' ' HB3' ' A' ' 179' ' ' ALA . 2.4 tt0 71.98 -64.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 178' ' ' GLU . . . 83.21 79.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 149.89 -151.08 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -124.61 -56.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.471 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 98.2 t -68.72 -70.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -35.91 -34.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 131' ' ' LYS . 8.9 mtt -69.11 -59.09 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 27.2 t0 -58.49 -19.55 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.21 -65.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -49.56 -55.97 11.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -53.73 -59.79 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.39 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.4 t30 -48.52 -29.37 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.64 -86.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.483 ' CG ' ' H ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -59.65 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.483 ' H ' ' CG ' ' A' ' 141' ' ' LYS . 0.1 OUTLIER 79.66 58.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.854 HG13 ' CH2' ' A' ' 160' ' ' TRP . 49.1 t 61.94 130.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 109.373 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -145.84 81.14 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.1 OUTLIER -118.08 145.94 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.2 OUTLIER -115.61 -33.1 5.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.61 -80.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.599 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.2 t -120.44 136.49 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 148' ' ' THR . 4.0 mm-40 70.18 5.14 5.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.599 ' CD ' ' O ' ' A' ' 148' ' ' THR . 0.0 OUTLIER -137.67 95.63 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.515 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -151.79 74.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 143' ' ' VAL . 1.8 ttmt -67.94 109.46 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.656 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -106.79 129.03 54.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -116.07 -173.19 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -49.57 -37.1 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 157' ' ' VAL . 4.0 t70 -62.32 -5.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.97 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -31.4 -69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.801 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 34.94 -134.2 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -61.85 -56.63 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.914 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -33.88 -40.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.972 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.97 ' CB ' HG13 ' A' ' 157' ' ' VAL . 1.3 tmm_? -66.31 -72.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.02 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.6 m-20 -62.78 -79.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.914 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -49.02 -53.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.11 -53.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.3 -53.84 46.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 84.74 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.7 t -170.52 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -86.06 -48.56 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -46.18 63.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.73 -38.98 84.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.08 -48.75 61.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 176' ' ' MET . 92.5 mtt180 -73.04 -65.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 173' ' ' ARG . 58.8 mmtt -37.65 -32.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.0 OUTLIER -77.27 -52.06 9.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.5 OUTLIER -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.046 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -102.22 -65.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 179' ' ' ALA . 0.0 OUTLIER 73.55 -1.44 3.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 36.42 80.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -117.84 -81.42 0.8 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -72.77 96.38 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 78.4 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.23 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.0 mmt -73.76 -55.47 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -48.24 -31.84 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.1 -51.68 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -57.35 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.75 -51.13 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 138' ' ' ALA . 37.9 t-20 -39.29 -56.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.556 ' O ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.008 ' N ' HD21 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -39.8 113.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -138.94 120.12 14.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 11.1 pttm -147.99 162.16 39.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 0.4 OUTLIER -133.07 -4.01 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 150' ' ' LYS . 2.3 m-20 -168.91 135.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -36.67 -45.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.446 ' OE1' ' CD ' ' A' ' 150' ' ' LYS . 2.3 pt-20 -73.77 -37.03 65.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -103.16 101.88 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.568 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -141.95 163.58 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 108.42 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -94.63 138.88 31.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.008 HD21 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -132.4 -177.97 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -34.83 -47.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.47 ' N ' ' CD ' ' A' ' 155' ' ' ARG . 5.3 t0 -71.44 45.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.016 HG13 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.32 -77.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.859 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 53.01 -142.25 27.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.7 m-20 -65.75 -42.63 90.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.213 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.756 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -40.31 -55.64 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.016 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -60.03 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -28.84 -46.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 m120 -63.12 -83.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -45.0 -54.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -40.67 -52.25 2.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.177 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.76 -51.6 67.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.77 74.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 151' ' ' GLU . 88.6 p -168.41 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . . . . . . 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 133' ' ' ASN . 95.4 t . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -35.42 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -75.02 -56.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -48.74 -28.16 3.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.175 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 tp -78.03 -52.56 8.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 4.4 mtt180 -44.48 -55.35 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.861 ' HB2' ' HG3' ' A' ' 155' ' ' ARG . . . -67.47 -51.36 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.9 t-20 -36.23 -57.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.509 ' CA ' HD21 ' A' ' 154' ' ' LEU . 19.8 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.871 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -43.44 114.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.617 1.198 . . . . 0.0 109.367 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 2.2 mttm -110.72 66.32 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 3.2 tttt -72.72 119.27 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.4 tm-20 -111.19 10.88 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 3.9 m-20 157.51 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 149' ' ' GLU . 4.4 t -152.62 -51.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 148' ' ' THR . 0.1 OUTLIER -95.89 11.15 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.425 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -131.06 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -108.92 104.72 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.496 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -70.14 110.86 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.856 ' C ' HD13 ' A' ' 154' ' ' LEU . 2.1 p-10 -98.65 136.18 39.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.856 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -153.57 -164.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.861 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -25.53 138.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 26.2 t0 84.75 -5.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.65 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -37.9 -81.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 34.38 -111.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -69.29 -61.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.871 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.46 -32.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.074 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.588 ' HB2' ' CB ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -73.82 -77.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.8 -37.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 161' ' ' ARG . 37.8 m-20 -61.8 -74.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.722 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -58.84 -46.53 91.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.2 tp10 -42.0 -47.12 4.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 167' ' ' LYS . 2.0 mt-10 -91.86 -77.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 166' ' ' GLU . 6.7 ptpt -38.9 -41.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -108.95 65.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.082 . . . . 0.0 111.002 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 134' ' ' MET . 59.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -38.64 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 132' ' ' VAL . 1.8 mtt -75.91 -54.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 0.4 OUTLIER -48.27 -38.21 18.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.9 tp -70.61 -54.89 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -43.62 -69.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.445 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.9 t30 -40.68 -29.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.099 HG22 ' CE2' ' A' ' 160' ' ' TRP . 2.2 t 45.06 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -148.56 136.04 20.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -160.97 -160.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.25 -30.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 150' ' ' LYS . 11.9 m-20 -153.18 157.09 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -43.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -34.21 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -95.54 86.46 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.555 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.1 mt-10 -143.69 142.29 30.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.52 105.5 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.799 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -111.96 143.94 42.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.799 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -124.27 -167.04 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -26.15 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.6 t0 -72.63 1.73 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.01 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -30.23 -72.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 34.54 -137.3 0.24 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -66.93 -47.38 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.099 ' CE2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.04 -68.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.037 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.01 ' HB3' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -52.77 -72.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.94 -51.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 69.8 m-20 -63.08 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.635 HD11 ' HA ' ' A' ' 161' ' ' ARG . 1.7 pp -41.53 -55.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.516 ' CG ' ' HG2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -39.36 -53.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 167' ' ' LYS . 1.7 mm-40 -73.58 -65.33 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 166' ' ' GLU . 10.5 mttt -38.49 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.2 -63.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ASN . 56.7 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.35 -35.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.21 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.85 -54.07 7.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.7 t0 -47.97 -34.47 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.37 -54.48 7.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 8.1 mmt180 -39.42 -60.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.51 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.7 -56.37 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 138' ' ' ALA . 20.2 t30 -32.42 -40.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.634 ' C ' HG12 ' A' ' 143' ' ' VAL . 1.2 pt20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.707 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -164.0 122.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.475 ' HG3' HD12 ' A' ' 154' ' ' LEU . 11.1 mtpt -125.58 88.66 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.7 pttm -140.52 153.34 46.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 5.1 mt-10 -138.77 2.31 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 148' ' ' THR . 0.8 OUTLIER -170.23 134.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 147' ' ' ASP . 1.5 t -27.6 -49.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -72.23 -55.24 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -71.03 80.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.613 ' OE1' HD12 ' A' ' 164' ' ' ILE . 2.7 tt0 -124.01 125.54 44.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -113.64 109.68 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -98.24 114.2 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.609 HD11 ' C ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -95.46 174.43 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.471 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -38.38 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.7 t70 75.0 2.01 3.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.759 HG23 ' HB3' ' A' ' 161' ' ' ARG . 1.7 m -26.32 -55.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.552 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 40.38 -146.63 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.92 -36.29 83.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.707 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -42.42 -61.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 107.967 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.759 ' HB3' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -65.84 -68.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.553 ' C ' ' O ' ' A' ' 161' ' ' ARG . 11.9 tptt -28.04 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 60.1 m-20 -64.21 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.679 HD13 ' CH2' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -47.26 -53.45 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -41.82 -49.77 4.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.363 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.13 -73.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' GLY . 3.8 ptpt -49.25 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.2 m -65.37 74.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 133' ' ' ASN . 74.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -32.65 -40.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtm -68.94 -60.43 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 15.6 t0 -51.29 -24.56 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -70.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -58.46 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 155' ' ' ARG . . . -52.98 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 13.9 t30 -41.55 -31.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 138' ' ' ALA . 2.0 mp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.426 ' C ' HD21 ' A' ' 154' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.615 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -150.43 121.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 152' ' ' LYS . 1.0 OUTLIER -121.45 78.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HD3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -137.25 155.39 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.2 OUTLIER -154.31 18.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.0 m-20 153.89 162.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -37.39 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -89.58 25.08 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -163.3 86.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.56 ' CG ' HD13 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -141.89 111.52 6.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 4.3 tttt -115.82 103.51 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.52 ' OD1' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -100.44 123.51 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.704 ' H ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -122.35 177.36 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -31.53 140.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 157' ' ' VAL . 6.0 t70 84.08 8.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.7 OUTLIER -30.41 -53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.547 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 41.74 -151.16 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.9 m-20 -60.48 -38.09 83.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.679 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -41.33 -62.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -63.57 -70.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.8 ttmt -25.24 -54.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 165' ' ' GLU . 66.0 m-20 -54.7 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.679 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 2.2 pp -74.29 7.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -92.73 -38.27 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -47.05 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 2.0 ptpt -90.15 61.72 5.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.9 p -151.41 -73.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.565 HG23 ' H ' ' A' ' 133' ' ' ASN . 15.0 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.565 ' H ' HG23 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.7 -61.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 15.1 mtt -54.2 -47.44 72.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 132' ' ' VAL . 45.7 t0 -51.89 -36.26 48.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.71 -51.93 14.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.7 mtt85 -48.79 -58.56 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.21 -56.73 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.5 t-20 -33.77 -47.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.496 ' HA ' HD21 ' A' ' 154' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.735 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER 43.22 94.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 73.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -115.94 154.61 29.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 10.9 tt0 -144.39 11.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.2 m-20 153.96 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -51.39 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.712 ' H ' HG23 ' A' ' 148' ' ' THR . 1.7 pt-20 -69.65 58.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER 177.67 74.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.645 ' CD ' HD12 ' A' ' 164' ' ' ILE . 1.1 tt0 -140.04 109.19 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -94.69 105.36 17.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -105.09 118.53 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.735 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -109.41 179.4 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -35.82 -48.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 12.7 t0 -69.62 56.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.067 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t -85.86 -63.92 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.688 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 39.94 -140.2 0.94 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 160' ' ' TRP . 4.5 t70 -63.52 -49.84 71.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.645 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.07 -47.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.046 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.067 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -65.66 -67.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.3 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.3 m-20 -66.79 -79.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.645 HD12 ' CD ' ' A' ' 151' ' ' GLU . 0.7 OUTLIER -45.09 -54.45 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -44.5 -49.05 10.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 167' ' ' LYS . 3.6 mt-10 -68.35 -78.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 168' ' ' SER . 12.2 ptpt -38.81 -56.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 5.7 t -61.21 -55.32 33.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.929 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 74.7 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.426 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -38.31 -31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' C ' ' A' ' 132' ' ' VAL . 2.3 mmt -75.77 -55.69 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 4.7 t0 -46.04 -46.81 16.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.66 -61.49 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.8 -76.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -43.4 -63.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' ALA . 14.1 t30 -36.56 -35.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 138' ' ' ALA . 2.2 mp . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.695 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.695 HG13 ' C ' ' A' ' 142' ' ' GLN . 2.0 m 59.05 113.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 151' ' ' GLU . 22.4 mmtt -122.93 135.42 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -170.96 140.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -124.3 2.95 8.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -75.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.5 OUTLIER -168.36 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 148' ' ' THR . 1.7 pt-20 -77.59 1.82 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -134.28 94.72 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.576 ' HB3' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -157.37 154.19 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.79 112.95 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.473 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -94.08 130.22 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -103.73 -178.39 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -50.28 -21.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.2 t0 -78.13 10.37 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.138 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -35.97 -75.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.706 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 42.61 -132.95 4.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.389 1.055 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 8.2 m-20 -70.36 -47.08 62.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.688 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.3 -53.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.138 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -62.36 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.6 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.2 tppt? -23.31 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 73.7 m-20 -61.36 -65.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.842 ' O ' HD12 ' A' ' 164' ' ' ILE . 2.1 pp -79.85 24.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.5 tm-20 -111.89 -40.6 4.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.46 ' CG ' ' OE1' ' A' ' 165' ' ' GLU . 1.3 mm-40 -105.17 -35.18 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -90.18 -7.31 53.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.444 ' OG ' ' CE ' ' A' ' 167' ' ' LYS . 11.3 m -138.48 71.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.923 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.9 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -36.48 -33.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -69.0 -60.03 2.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 1.2 m-20 -57.22 -21.93 37.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -71.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -46.43 -57.13 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.05 -59.47 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.5 t30 -44.57 -32.39 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 142' ' ' GLN . 4.1 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.808 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 42.26 93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 144.1 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.518 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -168.1 163.33 13.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -145.95 15.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 167.57 -158.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.8 t -89.86 -41.71 11.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.12 27.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.75 62.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.657 ' CD ' HD13 ' A' ' 164' ' ' ILE . 3.0 tm-20 -118.88 139.23 51.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -127.1 97.93 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.665 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -106.17 132.01 52.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -117.21 -176.45 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -20.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 110.376 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' VAL . 9.3 t70 -78.23 10.27 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.074 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -38.48 -76.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.753 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 46.67 -130.14 11.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 160' ' ' TRP . 12.0 p-10 -75.46 -45.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.808 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -39.78 -52.47 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.074 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.15 -58.67 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -29.01 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.0 m-80 -80.06 -61.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.88 ' O ' HD12 ' A' ' 164' ' ' ILE . 2.3 pp -84.11 31.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -137.47 -38.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 10.5 tp10 -94.12 -29.59 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 168' ' ' SER . 21.1 mttt -88.79 -78.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 167' ' ' LYS . 19.3 m -37.04 -52.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.488 ' N ' ' CG1' ' A' ' 132' ' ' VAL . 4.4 p30 -38.79 -49.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.433 ' CG ' ' OD1' ' A' ' 133' ' ' ASN . 4.5 mtt -67.04 -43.48 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 33.4 t0 -55.04 -37.14 66.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 136' ' ' LEU . 1.3 tm? -70.37 -68.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -39.16 -57.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' GLN . . . -60.3 -38.67 84.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 8.1 t30 -71.46 -6.59 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.815 ' O ' HD21 ' A' ' 154' ' ' LEU . 1.4 pt20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.649 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -139.13 109.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.511 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -99.88 78.3 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 132.54 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -155.34 19.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 157.04 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 149' ' ' GLU . 9.0 t -67.58 -52.02 43.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 148' ' ' THR . 10.7 mt-10 -81.22 -20.9 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 150' ' ' LYS . 2.7 mmtt -87.22 101.1 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -169.16 58.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.511 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 1.5 tptt -50.84 117.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.462 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -104.21 132.3 50.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.815 HD21 ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -124.98 -178.67 4.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -32.17 -56.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.561 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 20.2 t0 -67.51 59.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.103 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -86.39 -60.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.64 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 38.67 -140.98 0.51 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -64.09 -49.29 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.649 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.45 -43.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.103 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.2 OUTLIER -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.0 tptt -28.55 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -66.31 -79.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.6 HG12 ' CE3' ' A' ' 160' ' ' TRP . 1.2 pp -46.44 -53.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -43.9 -48.93 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -79.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -48.77 -96.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.417 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 4.0 m -63.85 75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.11 -33.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.454 ' CE ' ' CZ ' ' A' ' 137' ' ' ARG . 2.5 mmt -77.02 -53.22 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -46.98 -51.76 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.83 78.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.454 ' CZ ' ' CE ' ' A' ' 134' ' ' MET . 1.9 ttp180 -42.17 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.59 -52.59 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' ALA . 18.8 t30 -37.58 -33.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 138' ' ' ALA . 8.5 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.378 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.547 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.782 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.5 OUTLIER 48.41 101.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.54 80.43 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.759 ' HD3' HG21 ' A' ' 164' ' ' ILE . 4.1 pttm -131.94 164.7 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.17 20.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.9 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 149' ' ' GLU . 8.6 t -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.52 ' N ' HG23 ' A' ' 148' ' ' THR . 3.9 mt-10 -71.31 -53.99 12.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 89.23 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.2 tm-20 -150.03 128.97 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -121.05 107.73 12.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -100.65 105.51 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.782 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -98.91 -172.57 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -45.51 171.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.507 ' O ' ' C ' ' A' ' 157' ' ' VAL . 10.2 t0 64.96 5.29 2.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.923 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.8 OUTLIER -31.15 -61.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.682 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 41.26 -135.63 2.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -67.74 -48.7 65.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.663 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.23 -52.05 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 107.981 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.923 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.73 -66.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.0 tmmt? -30.98 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 161' ' ' ARG . 61.6 m-20 -73.15 -61.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.783 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.5 pp -78.06 10.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -117.64 -22.77 7.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.567 1.167 . . . . 0.0 110.251 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -97.19 -56.82 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 10.9 pttt -83.06 -35.33 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -102.51 62.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.409 1.068 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 133' ' ' ASN . 53.7 t . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -35.1 -37.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.0 mmt -74.14 -53.75 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 11.9 t70 -49.27 -40.53 34.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -53.12 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 9.5 mmt180 -43.87 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -58.54 -51.97 67.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.7 t30 -38.08 -35.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.854 ' HA ' HD21 ' A' ' 154' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.779 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -173.77 84.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 2.9 mtpt -94.38 81.8 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.434 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -97.02 132.48 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -154.73 19.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.5 OUTLIER 156.2 -169.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 149' ' ' GLU . 7.8 t -67.63 -53.7 25.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.512 ' N ' HG23 ' A' ' 148' ' ' THR . 0.2 OUTLIER -85.62 6.7 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 147' ' ' ASP . 7.3 mmtp -115.06 103.01 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.506 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -172.26 58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 4.9 mttt -45.7 113.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.754 ' C ' HD13 ' A' ' 154' ' ' LEU . 1.5 p-10 -109.31 150.83 27.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.854 HD21 ' HA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -168.13 -163.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 154' ' ' LEU . 6.7 ptm180 -25.3 137.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 83.44 -5.85 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.642 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -35.53 -77.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 35.86 -118.38 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.27 -58.92 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.779 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.9 -31.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 165' ' ' GLU . 6.1 tmm_? -73.84 -70.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.14 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -69.82 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.718 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -81.3 13.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.7 tp10 -106.2 -43.28 4.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.76 -37.91 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -71.81 -49.01 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -39.26 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 134' ' ' MET . 58.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.0 OUTLIER -37.1 -32.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.7 mmt -70.84 -54.87 9.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 132' ' ' VAL . 2.0 t0 -51.6 -34.73 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.92 -44.22 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -53.46 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.79 -47.02 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.4 t-20 -38.01 -63.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.12 HG13 ' CH2' ' A' ' 160' ' ' TRP . 55.4 t 67.91 119.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 8.9 pttp -155.34 100.18 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -130.95 162.44 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -145.53 12.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.495 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 0.6 OUTLIER 157.61 -167.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -48.57 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.681 ' H ' HG23 ' A' ' 148' ' ' THR . 2.2 mm-40 -43.52 -63.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.27 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.636 ' CG ' HD13 ' A' ' 164' ' ' ILE . 4.8 tm-20 -156.77 111.47 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 4.6 mmtp -103.65 103.81 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.757 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -99.31 143.89 29.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -162.39 -164.55 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -28.62 135.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 14.3 t0 86.74 -6.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.729 HG11 ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -36.21 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 36.03 -119.96 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 160' ' ' TRP . 19.3 m-20 -66.89 -59.86 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 0.726 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.12 ' CH2' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -35.62 -36.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.586 ' HB2' ' CB ' ' A' ' 157' ' ' VAL . 61.3 ttt180 -72.62 -77.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.4 tmtt? -31.36 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.8 m-80 -61.62 -75.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.636 HD13 ' CG ' ' A' ' 151' ' ' GLU . 1.2 pp -56.07 -48.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -39.86 -50.55 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.14 -75.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -41.17 -59.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.458 ' N ' ' CG ' ' A' ' 167' ' ' LYS . 6.1 m -81.05 56.56 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 134' ' ' MET . 32.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.71 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.2 mmt -71.95 -54.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -51.89 -31.97 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 24.6 tp -72.21 -49.21 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 5.1 mtt180 -48.41 -56.36 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -67.36 -46.9 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.8 t30 -39.31 -41.82 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.045 HG13 ' CE2' ' A' ' 160' ' ' TRP . 58.0 t 67.9 73.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.47 ' CD ' ' HB2' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -136.42 120.28 17.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.532 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 3.0 pttm -147.1 155.91 42.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -140.33 9.31 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.427 ' HB3' ' CD ' ' A' ' 150' ' ' LYS . 5.1 t0 172.08 -149.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -70.44 -98.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.688 ' H ' HG23 ' A' ' 148' ' ' THR . 0.0 OUTLIER -36.66 -49.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.427 ' CD ' ' HB3' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -65.52 74.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.395 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.649 ' HG2' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -138.33 90.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.47 ' HB2' ' CD ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.98 102.97 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.975 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -107.31 145.44 32.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.975 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -144.16 -172.81 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -41.5 -39.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.472 ' OD1' HG21 ' A' ' 143' ' ' VAL . 12.2 t70 -66.15 -2.58 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -37.98 -71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.699 ' H ' HG23 ' A' ' 157' ' ' VAL . . . 42.93 -130.6 5.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.0 p-10 -69.3 -49.49 55.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 0.743 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.045 ' CE2' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.45 -59.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.645 ' O ' ' N ' ' A' ' 165' ' ' GLU . 12.7 ttp180 -58.84 -72.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.618 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.4 tptp -22.35 -53.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 77.4 m-20 -54.58 -65.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.79 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.5 pp -76.21 5.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 161' ' ' ARG . 15.4 tp10 -84.95 -44.35 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -102.02 -45.43 5.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.641 ' NZ ' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -67.32 -9.49 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 87.17 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 135' ' ' ASP . 78.2 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.683 ' ND2' ' H ' ' A' ' 134' ' ' MET . 0.2 OUTLIER -37.65 -46.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.683 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 15.5 mmt -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -48.5 -49.29 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 0.5 OUTLIER -68.6 -45.58 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 1.6 mmt85 -46.07 -57.48 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -70.48 -43.87 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' LEU . 6.3 t-20 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.606 ' C ' HG13 ' A' ' 143' ' ' VAL . 1.8 pp0? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.725 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.7 OUTLIER 52.15 103.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.3 OUTLIER -107.91 64.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 156.06 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.47 -40.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 149' ' ' GLU . 26.3 m-20 -162.61 158.85 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.517 ' O ' ' CA ' ' A' ' 168' ' ' SER . 0.6 OUTLIER -39.39 -27.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.387 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 147' ' ' ASP . 22.5 pt-20 -104.84 -37.26 7.09 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -82.93 122.34 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 1.9 pp20? 177.47 112.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -85.86 116.49 24.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.557 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -97.31 104.67 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.393 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.725 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -105.19 -176.63 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.497 ' O ' HD23 ' A' ' 154' ' ' LEU . 1.9 ptm180 -36.13 152.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 157' ' ' VAL . 2.5 t70 77.13 1.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.689 HG23 ' HB3' ' A' ' 161' ' ' ARG . 1.7 m -25.04 -58.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.616 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 38.29 -147.55 0.11 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -34.22 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.666 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -44.71 -50.32 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 107.955 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.689 ' HB3' HG23 ' A' ' 157' ' ' VAL . 55.6 ttt180 -68.12 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -38.37 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 160' ' ' TRP . 12.1 m-80 -70.63 -74.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -79.81 23.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.172 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 161' ' ' ARG . 15.0 tt0 -118.95 -33.42 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -98.79 -37.92 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -95.9 -31.68 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.517 ' CA ' ' O ' ' A' ' 148' ' ' THR . 1.8 m -112.88 48.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 133' ' ' ASN . 76.8 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.686 ' ND2' ' H ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -37.24 -43.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.686 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 84.9 mmm -66.22 -50.53 63.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 13.1 t70 -52.53 -34.5 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 29.8 tp -70.71 -51.07 29.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -48.29 -60.13 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 142' ' ' GLN . . . -61.98 -61.77 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.2 t30 -37.79 -33.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 138' ' ' ALA . 12.9 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.667 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.829 HG12 ' CD1' ' A' ' 160' ' ' TRP . 1.3 m 61.53 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 4.0 mmtt -129.13 60.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -67.06 143.01 56.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.2 mt-10 -149.04 14.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.1 m-20 151.76 142.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.7 t -46.39 -32.12 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.523 ' O ' ' CE ' ' A' ' 150' ' ' LYS . 0.5 OUTLIER -105.38 35.22 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -172.54 105.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.16 104.05 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -68.7 114.28 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.989 ' HB2' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -103.23 121.04 41.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.704 HD21 ' H ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -112.25 -170.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -62.57 139.89 58.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 7.2 t0 84.91 -1.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.14 HG23 ' NE1' ' A' ' 160' ' ' TRP . 8.6 p -60.19 -59.58 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 161' ' ' ARG . . . 9.66 -85.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 157' ' ' VAL . 37.2 m-20 -35.94 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.14 ' NE1' HG23 ' A' ' 157' ' ' VAL . 1.7 p-90 -53.17 -23.65 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.011 ' HB2' HG22 ' A' ' 157' ' ' VAL . 2.0 tmt_? -63.81 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.9 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.5 m120 -52.77 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.922 HD13 ' H ' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -73.1 -42.03 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.922 ' H ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.79 -45.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.222 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.17 -50.97 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -99.8 65.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 0.9 OUTLIER -176.91 35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.978 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 82.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -38.12 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.01 -54.39 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 39.5 t0 -50.26 -41.16 49.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -66.47 -50.51 63.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 12.8 mmt180 -50.26 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.17 -52.49 58.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.8 t30 -37.5 -50.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.37 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 1.024 ' O ' HD21 ' A' ' 154' ' ' LEU . 7.8 pt20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.672 HG12 ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -166.83 110.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 145' ' ' LYS . 1.9 mmmt -138.26 149.63 45.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 21.8 pttt -179.3 -169.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -166.95 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 150' ' ' LYS . 14.2 m-20 -152.62 161.76 42.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -43.8 -42.04 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.7 mt-10 -90.62 31.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -164.6 76.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.527 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.1 OUTLIER -127.12 108.33 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -87.99 111.54 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.476 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -114.25 133.18 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.024 HD21 ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -109.83 -176.01 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -49.3 -36.97 22.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t0 -62.18 -0.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 158' ' ' GLY . 1.0 OUTLIER -24.58 -67.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.741 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 34.43 -141.08 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.1 m-20 -68.54 -40.03 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.677 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -41.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.688 ' CB ' HG22 ' A' ' 157' ' ' VAL . 0.8 OUTLIER -56.28 -65.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.4 tptm -25.22 -48.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.507 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 41.5 m-80 -63.36 -60.94 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.754 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.7 pp -79.8 15.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -103.58 -40.92 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -98.44 -39.61 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -90.11 40.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 148' ' ' THR . 78.1 p -133.5 -62.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.0 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.94 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.1 mmt -73.47 -53.26 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.5 OUTLIER -50.39 -37.97 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -48.19 60.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -48.23 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 142' ' ' GLN . . . -58.59 -50.31 74.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.0 t30 -37.59 -42.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.826 ' HA ' HD21 ' A' ' 154' ' ' LEU . 4.0 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.801 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -170.58 89.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -106.81 69.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 141.25 28.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.642 1.214 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.5 mt-10 -150.07 15.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.8 m-20 152.04 -172.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 149' ' ' GLU . 9.2 t -63.73 -53.76 46.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.509 ' N ' HG23 ' A' ' 148' ' ' THR . 1.4 mt-10 -73.95 -26.14 60.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 96.9 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -155.38 95.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 19.6 tttt -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.673 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -108.35 144.78 35.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.997 ' O ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -160.48 -165.6 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.514 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -30.02 143.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 81.54 -6.72 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.997 HG13 ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -39.36 -75.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.573 ' H ' HG23 ' A' ' 157' ' ' VAL . . . 34.42 -105.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -78.74 -61.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.801 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -33.55 -44.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.969 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.676 ' HB2' HG12 ' A' ' 157' ' ' VAL . 1.3 ttt180 -70.88 -67.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.68 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.7 m120 -65.4 -75.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.854 HD12 ' CD ' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -49.88 -52.08 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -42.48 -49.33 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.452 ' C ' ' N ' ' A' ' 168' ' ' SER . 14.5 tt0 -70.51 -76.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.19 -31.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 23.0 t -80.66 -58.0 3.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' ASP . 63.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 134' ' ' MET . 3.3 p30 -37.6 -49.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 135' ' ' ASP . 2.6 ppp? -69.93 -40.36 75.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.3 t70 -55.99 -36.33 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -48.8 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -47.95 -60.02 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.16 -52.27 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 138' ' ' ALA . 38.3 t-20 -38.41 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.002 HG22 ' CE2' ' A' ' 160' ' ' TRP . 50.4 t 53.57 78.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -122.59 91.21 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -105.43 158.09 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -174.9 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 150' ' ' LYS . 53.6 m-20 -161.36 158.27 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -37.54 -43.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.18 -37.14 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.8 OUTLIER -88.55 86.94 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.499 ' CD ' HD13 ' A' ' 164' ' ' ILE . 6.9 tm-20 -162.49 107.92 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -115.3 116.26 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.566 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -113.13 128.69 56.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.841 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -107.25 -175.27 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.05 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -47.65 -21.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 157' ' ' VAL . 14.0 t70 -77.39 10.29 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.958 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -34.48 -71.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.722 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 43.4 -141.47 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.25 -31.54 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.002 ' CE2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -48.26 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 107.938 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.958 ' HB3' HG23 ' A' ' 157' ' ' VAL . 1.9 ttt180 -57.83 -62.12 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 161' ' ' ARG . 6.4 tptt -23.71 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' A' ' 165' ' ' GLU . 50.9 m-20 -60.73 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.732 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.9 pp -78.32 17.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.68 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.2 tt0 -101.75 -41.3 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -97.36 -40.39 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -79.75 -25.93 40.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 3.2 m -130.45 68.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.2 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.87 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtt -74.63 -54.79 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' VAL . 24.0 t0 -48.41 -35.28 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.2 tp -72.57 -51.78 18.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -45.13 -63.76 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.427 1.08 . . . . 0.0 110.348 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.27 -53.41 58.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.1 t30 -36.08 -39.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.8 pt20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.042 HG22 ' NE1' ' A' ' 160' ' ' TRP . 14.1 t 65.69 77.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 151' ' ' GLU . 0.2 OUTLIER -89.2 130.91 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.567 ' HD2' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -148.83 124.18 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.25 14.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.45 ' O ' ' NZ ' ' A' ' 145' ' ' LYS . 1.2 t0 169.67 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.0 t -96.17 -28.77 14.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.09 -18.54 13.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 107.02 19.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -169.32 -179.09 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.71 112.96 1.25 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.463 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -93.45 140.52 29.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.714 HD11 ' H ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -153.47 -170.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.685 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -38.42 94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.685 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 8.2 t70 139.34 -9.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.707 HG22 ' N ' ' A' ' 158' ' ' GLY . 1.1 m -24.66 -63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.707 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 32.26 -134.49 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.91 -39.4 72.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.042 ' NE1' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -43.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.686 ' HD2' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -53.68 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.35 -54.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 165' ' ' GLU . 60.2 m-20 -55.67 -58.63 7.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.9 pp -81.87 17.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -103.41 -39.77 6.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -29.14 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -19.85 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.9 m -135.57 45.57 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 98.2 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -35.91 -34.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 8.9 mtt -69.11 -59.09 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 27.2 t0 -58.49 -19.55 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.21 -65.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -49.56 -55.97 11.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -53.73 -59.79 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.39 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.4 t30 -48.52 -29.37 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.854 HG13 ' CH2' ' A' ' 160' ' ' TRP . 49.1 t 61.94 130.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 109.373 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -145.84 81.14 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.1 OUTLIER -118.08 145.94 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.2 OUTLIER -115.61 -33.1 5.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.61 -80.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.599 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.2 t -120.44 136.49 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 148' ' ' THR . 4.0 mm-40 70.18 5.14 5.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.599 ' CD ' ' O ' ' A' ' 148' ' ' THR . 0.0 OUTLIER -137.67 95.63 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.515 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -151.79 74.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 143' ' ' VAL . 1.8 ttmt -67.94 109.46 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.656 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -106.79 129.03 54.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -116.07 -173.19 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -49.57 -37.1 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 157' ' ' VAL . 4.0 t70 -62.32 -5.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.97 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -31.4 -69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.801 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 34.94 -134.2 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -61.85 -56.63 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.914 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -33.88 -40.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.972 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.97 ' CB ' HG13 ' A' ' 157' ' ' VAL . 1.3 tmm_? -66.31 -72.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.02 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.6 m-20 -62.78 -79.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.914 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -49.02 -53.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.11 -53.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.3 -53.84 46.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 84.74 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.7 t -170.52 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.462 ' CE ' ' HG3' ' A' ' 134' ' ' MET . 5.4 mttp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 78.4 t -66.38 -64.23 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.23 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 131' ' ' LYS . 7.0 mmt -73.76 -55.47 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -48.24 -31.84 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.1 -51.68 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -57.35 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.75 -51.13 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 138' ' ' ALA . 37.9 t-20 -39.29 -56.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 141' ' ' LYS . 0.2 OUTLIER -69.44 -64.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.586 ' CE ' HD12 ' A' ' 154' ' ' LEU . 3.9 tptt -53.24 -105.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.556 ' O ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 73.36 161.81 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.008 ' N ' HD21 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -39.8 113.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -138.94 120.12 14.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 11.1 pttm -147.99 162.16 39.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.229 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 0.4 OUTLIER -133.07 -4.01 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 150' ' ' LYS . 2.3 m-20 -168.91 135.17 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -36.67 -45.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.446 ' OE1' ' CD ' ' A' ' 150' ' ' LYS . 2.3 pt-20 -73.77 -37.03 65.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -103.16 101.88 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.568 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -141.95 163.58 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 108.42 9.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -94.63 138.88 31.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.008 HD21 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -132.4 -177.97 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -34.83 -47.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.47 ' N ' ' CD ' ' A' ' 155' ' ' ARG . 5.3 t0 -71.44 45.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.016 HG13 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.32 -77.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.859 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 53.01 -142.25 27.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.7 m-20 -65.75 -42.63 90.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.213 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.756 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -40.31 -55.64 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.016 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -60.03 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -28.84 -46.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 m120 -63.12 -83.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -45.0 -54.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -40.67 -52.25 2.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.177 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.76 -51.6 67.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.77 74.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 151' ' ' GLU . 88.6 p -168.41 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -92.53 -55.72 1.64 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.0 ttt -54.73 -26.22 32.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.611 1.194 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.96 97.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 0.747 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -49.16 -43.9 42.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 174' ' ' LYS . 0.0 OUTLIER -52.38 -26.53 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 6.0 tpp -90.36 -28.05 18.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.683 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -178.4 73.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 174' ' ' LYS . 20.9 tt0 -37.97 -41.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 60.27 75.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 75.42 158.8 7.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.41 154.79 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 133' ' ' ASN . 95.4 t -64.7 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -35.42 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -75.02 -56.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -48.74 -28.16 3.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.175 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 tp -78.03 -52.56 8.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 4.4 mtt180 -44.48 -55.35 5.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.861 ' HB2' ' HG3' ' A' ' 155' ' ' ARG . . . -67.47 -51.36 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.9 t-20 -36.23 -57.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -40.71 63.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.483 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 4.1 tptm -79.38 -106.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.509 ' CA ' HD21 ' A' ' 154' ' ' LEU . 19.8 mt-30 66.47 -176.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.871 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -43.44 114.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.617 1.198 . . . . 0.0 109.367 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 2.2 mttm -110.72 66.32 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 3.2 tttt -72.72 119.27 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.4 tm-20 -111.19 10.88 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 3.9 m-20 157.51 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 149' ' ' GLU . 4.4 t -152.62 -51.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 148' ' ' THR . 0.1 OUTLIER -95.89 11.15 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.425 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -131.06 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -108.92 104.72 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.496 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -70.14 110.86 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.856 ' C ' HD13 ' A' ' 154' ' ' LEU . 2.1 p-10 -98.65 136.18 39.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.856 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -153.57 -164.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.861 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -25.53 138.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 26.2 t0 84.75 -5.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.65 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -37.9 -81.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 34.38 -111.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -69.29 -61.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.871 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.46 -32.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.074 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.588 ' HB2' ' CB ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -73.82 -77.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.8 -37.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 161' ' ' ARG . 37.8 m-20 -61.8 -74.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.722 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -58.84 -46.53 91.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.2 tp10 -42.0 -47.12 4.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 167' ' ' LYS . 2.0 mt-10 -91.86 -77.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 166' ' ' GLU . 6.7 ptpt -38.9 -41.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -108.95 65.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -165.23 -66.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.082 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -33.97 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.08 -57.19 13.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.47 -51.77 56.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.83 -51.28 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 177' ' ' PHE . 2.1 mmmm -65.13 -52.19 56.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.39 -29.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.411 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.5 OUTLIER -84.5 -43.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.615 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -164.23 71.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -38.55 -53.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 48.69 68.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 162.02 165.28 18.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.074 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -102.8 82.22 2.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.2 tttp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 134' ' ' MET . 59.9 t -63.44 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -38.64 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.442 ' N ' ' C ' ' A' ' 132' ' ' VAL . 1.8 mtt -75.91 -54.75 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 0.4 OUTLIER -48.27 -38.21 18.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.9 tp -70.61 -54.89 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -43.62 -69.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.445 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.9 t30 -40.68 -29.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -82.59 -54.73 4.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.502 ' HE3' HD12 ' A' ' 154' ' ' LEU . 16.6 mtmt -58.56 -87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.8 OUTLIER 74.14 65.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.099 HG22 ' CE2' ' A' ' 160' ' ' TRP . 2.2 t 45.06 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -148.56 136.04 20.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -160.97 -160.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.25 -30.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 150' ' ' LYS . 11.9 m-20 -153.18 157.09 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.823 HG21 ' HA3' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -40.63 -43.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -34.21 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -95.54 86.46 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.555 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.1 mt-10 -143.69 142.29 30.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.52 105.5 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.799 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -111.96 143.94 42.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.799 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -124.27 -167.04 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -26.15 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.6 t0 -72.63 1.73 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.01 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -30.23 -72.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 34.54 -137.3 0.24 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -66.93 -47.38 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.099 ' CE2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.04 -68.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.037 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.01 ' HB3' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -52.77 -72.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.94 -51.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 69.8 m-20 -63.08 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.635 HD11 ' HA ' ' A' ' 161' ' ' ARG . 1.7 pp -41.53 -55.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.516 ' CG ' ' HG2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -39.36 -53.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 167' ' ' LYS . 1.7 mm-40 -73.58 -65.33 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 166' ' ' GLU . 10.5 mttt -38.49 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.2 -63.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -43.52 -65.74 1.44 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 26.7 ttm -55.54 -21.94 19.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 0.719 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.23 -51.07 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.823 ' HA3' HG21 ' A' ' 148' ' ' THR . . . -61.87 -35.59 91.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 176' ' ' MET . 37.4 mtt180 -74.66 -70.75 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 0.797 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.19 -38.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 174' ' ' LYS . 1.3 tmpt? -72.52 -44.42 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 173' ' ' ARG . 3.7 tpp -45.1 -50.6 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.86 -65.66 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 179' ' ' ALA . 2.3 tt0 74.89 -3.11 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.63 74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -108.51 -82.9 1.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.68 88.17 7.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 0.718 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ASN . 56.7 t -65.25 -60.07 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.35 -35.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.21 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.85 -54.07 7.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.7 t0 -47.97 -34.47 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.37 -54.48 7.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 8.1 mmt180 -39.42 -60.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.51 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -63.7 -56.37 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.51 ' C ' ' O ' ' A' ' 138' ' ' ALA . 20.2 t30 -32.42 -40.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -77.48 -55.9 4.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.584 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -126.64 103.91 7.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.634 ' C ' HG12 ' A' ' 143' ' ' VAL . 1.2 pt20 -132.02 -43.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.707 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -164.0 122.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.475 ' HG3' HD12 ' A' ' 154' ' ' LEU . 11.1 mtpt -125.58 88.66 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.7 pttm -140.52 153.34 46.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 147' ' ' ASP . 5.1 mt-10 -138.77 2.31 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 148' ' ' THR . 0.8 OUTLIER -170.23 134.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 147' ' ' ASP . 1.5 t -27.6 -49.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -72.23 -55.24 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -71.03 80.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.613 ' OE1' HD12 ' A' ' 164' ' ' ILE . 2.7 tt0 -124.01 125.54 44.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -113.64 109.68 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -98.24 114.2 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.609 HD11 ' C ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -95.46 174.43 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.471 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -38.38 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.7 t70 75.0 2.01 3.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.759 HG23 ' HB3' ' A' ' 161' ' ' ARG . 1.7 m -26.32 -55.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.552 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 40.38 -146.63 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.92 -36.29 83.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.707 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -42.42 -61.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 107.967 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.759 ' HB3' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -65.84 -68.96 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.553 ' C ' ' O ' ' A' ' 161' ' ' ARG . 11.9 tptt -28.04 -44.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 161' ' ' ARG . 60.1 m-20 -64.21 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.679 HD13 ' CH2' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -47.26 -53.45 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -41.82 -49.77 4.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.363 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.13 -73.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 169' ' ' GLY . 3.8 ptpt -49.25 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.2 m -65.37 74.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . 172.85 -64.47 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 31.3 ttp -56.42 -32.64 65.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.37 -60.8 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -56.76 -52.06 53.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.441 1.088 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.61 -51.76 5.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 0.749 . . . . 0.0 110.352 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 177' ' ' PHE . 2.0 mmmm -65.49 -52.32 53.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -29.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -84.86 -44.16 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.611 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -163.81 71.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' PHE . 1.3 mp0 -38.44 -51.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 46.98 78.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -118.28 -173.0 15.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.41 94.21 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 133' ' ' ASN . 74.3 t -64.0 -63.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -32.65 -40.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtm -68.94 -60.43 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 15.6 t0 -51.29 -24.56 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -70.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -58.46 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 155' ' ' ARG . . . -52.98 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 13.9 t30 -41.55 -31.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 138' ' ' ALA . 2.0 mp -75.63 -87.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.482 ' CD ' ' HG ' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -60.92 -62.01 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.439 ' H ' ' CG ' ' A' ' 141' ' ' LYS . 0.7 OUTLIER 69.87 -56.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.218 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.615 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -150.43 121.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 141' ' ' LYS . 1.0 OUTLIER -121.45 78.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HD3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -137.25 155.39 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.2 OUTLIER -154.31 18.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.0 m-20 153.89 162.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -37.39 16.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -89.58 25.08 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -163.3 86.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.56 ' CG ' HD13 ' A' ' 164' ' ' ILE . 0.2 OUTLIER -141.89 111.52 6.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 4.3 tttt -115.82 103.51 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.52 ' OD1' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -100.44 123.51 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.704 ' H ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -122.35 177.36 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -31.53 140.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 157' ' ' VAL . 6.0 t70 84.08 8.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.7 OUTLIER -30.41 -53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.547 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 41.74 -151.16 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.9 m-20 -60.48 -38.09 83.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.679 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -41.33 -62.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.623 ' O ' ' N ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -63.57 -70.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.8 ttmt -25.24 -54.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 165' ' ' GLU . 66.0 m-20 -54.7 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.679 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 2.2 pp -74.29 7.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -92.73 -38.27 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -47.05 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 2.0 ptpt -90.15 61.72 5.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.9 p -151.41 -73.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -65.28 -58.11 10.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.4 tpp -45.16 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.18 54.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.14 76.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 176' ' ' MET . 2.2 mtt180 -71.3 -64.25 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 173' ' ' ARG . 38.9 mmtt -38.68 -35.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.412 ' HE2' ' N ' ' A' ' 176' ' ' MET . 1.7 tmpt? -75.28 -49.52 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 173' ' ' ARG . 8.7 tpp -42.27 -50.14 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -96.2 -65.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 180' ' ' GLY . 0.8 OUTLIER 75.95 -5.02 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 38.09 -97.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 178' ' ' GLU . . . 149.37 -100.13 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -39.26 -59.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.227 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.921 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.5 pttt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.565 HG23 ' H ' ' A' ' 133' ' ' ASN . 15.0 m -47.63 -58.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.565 ' H ' HG23 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.7 -61.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 15.1 mtt -54.2 -47.44 72.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 132' ' ' VAL . 45.7 t0 -51.89 -36.26 48.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.71 -51.93 14.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.7 mtt85 -48.79 -58.56 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -59.21 -56.73 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.5 t-20 -33.77 -47.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.27 -66.37 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.6 ' HG3' HD12 ' A' ' 154' ' ' LEU . 16.3 tttt -106.75 128.93 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.496 ' HA ' HD21 ' A' ' 154' ' ' LEU . 0.9 OUTLIER 173.98 106.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.735 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER 43.22 94.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 73.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -115.94 154.61 29.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 10.9 tt0 -144.39 11.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.2 m-20 153.96 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -51.39 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.712 ' H ' HG23 ' A' ' 148' ' ' THR . 1.7 pt-20 -69.65 58.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER 177.67 74.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.645 ' CD ' HD12 ' A' ' 164' ' ' ILE . 1.1 tt0 -140.04 109.19 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 141' ' ' LYS . 1.6 tttt -94.69 105.36 17.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -105.09 118.53 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.735 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -109.41 179.4 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -35.82 -48.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 12.7 t0 -69.62 56.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.067 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t -85.86 -63.92 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.688 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 39.94 -140.2 0.94 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 160' ' ' TRP . 4.5 t70 -63.52 -49.84 71.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.645 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.07 -47.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 108.046 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.067 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -65.66 -67.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.3 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.3 m-20 -66.79 -79.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.645 HD12 ' CD ' ' A' ' 151' ' ' GLU . 0.7 OUTLIER -45.09 -54.45 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -44.5 -49.05 10.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.362 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 167' ' ' LYS . 3.6 mt-10 -68.35 -78.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 168' ' ' SER . 12.2 ptpt -38.81 -56.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 5.7 t -61.21 -55.32 33.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . -40.6 -60.87 1.99 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 4.1 mtp -38.1 -66.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.99 -38.87 73.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -50.48 -53.37 24.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.8 OUTLIER -67.4 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 173' ' ' ARG . 34.2 mmtt -39.06 -34.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.1 OUTLIER -75.42 -49.33 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 173' ' ' ARG . 12.2 tpt -42.75 -50.13 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -96.26 -64.8 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 179' ' ' ALA . 0.4 OUTLIER 74.56 -2.87 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.83 58.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -150.62 111.31 0.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -157.78 125.9 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.313 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HG2' ' CG ' ' A' ' 134' ' ' MET . 7.6 tttt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 74.7 t -66.4 -62.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.426 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -38.31 -31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.459 ' CG ' ' HG2' ' A' ' 131' ' ' LYS . 2.3 mmt -75.77 -55.69 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 4.7 t0 -46.04 -46.81 16.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.66 -61.49 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.8 -76.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -43.4 -63.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' ALA . 14.1 t30 -36.56 -35.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 138' ' ' ALA . 2.2 mp -81.68 -76.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.878 ' HG2' HD12 ' A' ' 154' ' ' LEU . 1.0 OUTLIER -52.39 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.695 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.3 OUTLIER 33.68 72.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.695 HG13 ' C ' ' A' ' 142' ' ' GLN . 2.0 m 59.05 113.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 151' ' ' GLU . 22.4 mmtt -122.93 135.42 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -170.96 140.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -124.3 2.95 8.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -75.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.5 OUTLIER -168.36 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 148' ' ' THR . 1.7 pt-20 -77.59 1.82 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -134.28 94.72 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.576 ' HB3' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -157.37 154.19 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.79 112.95 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.473 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -94.08 130.22 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.878 HD12 ' HG2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -103.73 -178.39 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -50.28 -21.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 157' ' ' VAL . 11.2 t0 -78.13 10.37 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.138 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -35.97 -75.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.706 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 42.61 -132.95 4.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.389 1.055 . . . . 0.0 111.05 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 8.2 m-20 -70.36 -47.08 62.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.688 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.3 -53.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.138 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -62.36 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.6 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.2 tppt? -23.31 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 73.7 m-20 -61.36 -65.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.842 ' O ' HD12 ' A' ' 164' ' ' ILE . 2.1 pp -79.85 24.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.5 tm-20 -111.89 -40.6 4.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.46 ' CG ' ' OE1' ' A' ' 165' ' ' GLU . 1.3 mm-40 -105.17 -35.18 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -90.18 -7.31 53.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.444 ' OG ' ' CE ' ' A' ' 167' ' ' LYS . 11.3 m -138.48 71.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -173.05 -59.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.7 ttt -51.04 -25.5 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.401 ' OE1' HG21 ' A' ' 148' ' ' THR . 3.1 mt-10 -60.08 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -51.9 -31.65 32.33 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -59.19 -71.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.39 0.7 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -52.79 -25.08 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.62 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.23 -22.34 44.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 173' ' ' ARG . 4.6 tpp -91.34 -13.66 32.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -173.35 57.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 174' ' ' LYS . 7.2 pt-20 -31.95 91.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -69.84 61.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -80.5 115.23 4.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.6 66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.175 . . . . 0.0 109.937 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.9 t -61.22 -66.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -36.48 -33.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -69.0 -60.03 2.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 1.2 m-20 -57.22 -21.93 37.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -71.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -46.43 -57.13 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.05 -59.47 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 10.5 t30 -44.57 -32.39 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -74.87 -80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.679 ' HG3' HD12 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -38.52 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 142' ' ' GLN . 4.1 mm-40 68.73 64.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.808 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 42.26 93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 144.1 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.518 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -168.1 163.33 13.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -145.95 15.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 167.57 -158.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.8 t -89.86 -41.71 11.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.12 27.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.75 62.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.657 ' CD ' HD13 ' A' ' 164' ' ' ILE . 3.0 tm-20 -118.88 139.23 51.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -127.1 97.93 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.665 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -106.17 132.01 52.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -117.21 -176.45 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -20.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 110.376 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 157' ' ' VAL . 9.3 t70 -78.23 10.27 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.074 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -38.48 -76.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.753 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 46.67 -130.14 11.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 160' ' ' TRP . 12.0 p-10 -75.46 -45.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.808 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -39.78 -52.47 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.023 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.074 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.15 -58.67 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -29.01 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.0 m-80 -80.06 -61.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.88 ' O ' HD12 ' A' ' 164' ' ' ILE . 2.3 pp -84.11 31.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.4 OUTLIER -137.47 -38.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 10.5 tp10 -94.12 -29.59 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 168' ' ' SER . 21.1 mttt -88.79 -78.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 167' ' ' LYS . 19.3 m -37.04 -52.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -50.65 -63.53 4.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 30.5 mtm -58.86 -65.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.774 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 8.3 mt-10 -40.12 -36.41 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.43 -59.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -55.52 -18.87 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.241 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.51 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 2.7 mmmt -86.16 -37.51 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 171' ' ' GLU . 0.0 OUTLIER -84.66 -4.19 58.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.558 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 8.9 ptm -101.68 -44.14 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.656 ' O ' ' C ' ' A' ' 178' ' ' GLU . 0.1 OUTLIER -101.32 -9.46 21.17 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 177' ' ' PHE . 1.3 tt0 11.51 68.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.523 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -130.05 47.15 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -163.78 162.58 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.63 162.36 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.974 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -50.59 -50.37 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.488 ' N ' ' CG1' ' A' ' 132' ' ' VAL . 4.4 p30 -38.79 -49.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.433 ' CG ' ' OD1' ' A' ' 133' ' ' ASN . 4.5 mtt -67.04 -43.48 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 33.4 t0 -55.04 -37.14 66.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 136' ' ' LEU . 1.3 tm? -70.37 -68.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -39.16 -57.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' GLN . . . -60.3 -38.67 84.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 8.1 t30 -71.46 -6.59 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 -56.6 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.742 ' HB3' HD12 ' A' ' 154' ' ' LEU . 9.4 mtpp -85.35 -58.58 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.815 ' O ' HD21 ' A' ' 154' ' ' LEU . 1.4 pt20 43.21 -94.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.649 ' HB ' ' CH2' ' A' ' 160' ' ' TRP . 1.6 m -139.13 109.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.511 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.2 OUTLIER -99.88 78.3 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 132.54 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -155.34 19.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 157.04 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 149' ' ' GLU . 9.0 t -67.58 -52.02 43.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 148' ' ' THR . 10.7 mt-10 -81.22 -20.9 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 150' ' ' LYS . 2.7 mmtt -87.22 101.1 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -169.16 58.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.511 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 1.5 tptt -50.84 117.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.462 ' OD1' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -104.21 132.3 50.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.815 HD21 ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -124.98 -178.67 4.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -32.17 -56.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.561 ' O ' ' CD1' ' A' ' 160' ' ' TRP . 20.2 t0 -67.51 59.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.103 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -86.39 -60.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.64 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 38.67 -140.98 0.51 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -64.09 -49.29 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.649 ' CH2' ' HB ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -34.45 -43.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.103 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.2 OUTLIER -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.0 tptt -28.55 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -66.31 -79.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.6 HG12 ' CE3' ' A' ' 160' ' ' TRP . 1.2 pp -46.44 -53.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -43.9 -48.93 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 170' ' ' MET . 0.5 OUTLIER -70.68 -79.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -48.77 -96.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.417 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 4.0 m -63.85 75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 167' ' ' LYS . . . 168.71 -53.08 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.494 ' CB ' ' O ' ' A' ' 166' ' ' GLU . 0.2 OUTLIER -55.12 -31.97 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 0.725 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.5 -54.03 51.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -61.23 -54.26 37.85 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -51.34 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 177' ' ' PHE . 8.5 mmtt -65.24 -52.45 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -28.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.44 ' N ' ' C ' ' A' ' 174' ' ' LYS . 1.4 tpp -85.49 -42.69 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.589 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.8 OUTLIER -166.13 70.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -47.72 -41.9 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 61.62 121.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.364 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -127.55 89.41 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -90.73 -61.32 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 tttp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 134' ' ' MET . 77.0 t -65.8 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.11 -33.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.454 ' CE ' ' CZ ' ' A' ' 137' ' ' ARG . 2.5 mmt -77.02 -53.22 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -46.98 -51.76 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.83 78.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.454 ' CZ ' ' CE ' ' A' ' 134' ' ' MET . 1.9 ttp180 -42.17 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.505 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -53.59 -52.59 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' ALA . 18.8 t30 -37.58 -33.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.432 ' N ' ' C ' ' A' ' 138' ' ' ALA . 8.5 tp -81.63 -49.7 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.575 ' HE3' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -120.59 125.55 48.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.547 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.3 OUTLIER 177.28 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 110.28 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.782 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.5 OUTLIER 48.41 101.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.54 80.43 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.759 ' HD3' HG21 ' A' ' 164' ' ' ILE . 4.1 pttm -131.94 164.7 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.17 20.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.9 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 149' ' ' GLU . 8.6 t -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.52 ' N ' HG23 ' A' ' 148' ' ' THR . 3.9 mt-10 -71.31 -53.99 12.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 89.23 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 2.2 tm-20 -150.03 128.97 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -121.05 107.73 12.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -100.65 105.51 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.782 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -98.91 -172.57 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -45.51 171.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.507 ' O ' ' C ' ' A' ' 157' ' ' VAL . 10.2 t0 64.96 5.29 2.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.923 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.8 OUTLIER -31.15 -61.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.682 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 41.26 -135.63 2.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -67.74 -48.7 65.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.663 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -36.23 -52.05 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 107.981 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.923 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -66.73 -66.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.0 tmmt? -30.98 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 161' ' ' ARG . 61.6 m-20 -73.15 -61.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.783 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.5 pp -78.06 10.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -117.64 -22.77 7.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.567 1.167 . . . . 0.0 110.251 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -97.19 -56.82 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 10.9 pttt -83.06 -35.33 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 164' ' ' ILE . 1.4 m -102.51 62.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -170.94 -78.27 0.05 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.409 1.068 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 174' ' ' LYS . 3.5 ttt -54.32 -27.75 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -61.1 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -57.78 -52.05 54.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.416 1.073 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.43 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 170' ' ' MET . 16.8 mmtm -62.67 -48.22 80.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -31.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -41.75 17.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.635 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -166.0 73.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 177' ' ' PHE . 5.8 mt-10 -35.86 -57.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 60.02 88.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -50.5 120.08 8.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.97 98.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.934 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 133' ' ' ASN . 53.7 t -64.48 -60.22 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -35.1 -37.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.0 mmt -74.14 -53.75 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 11.9 t70 -49.27 -40.53 34.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -53.12 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 9.5 mmt180 -43.87 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -58.54 -51.97 67.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.7 t30 -38.08 -35.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.3 OUTLIER -79.39 -49.19 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.734 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -123.24 129.99 52.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.854 ' HA ' HD21 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -171.88 -39.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.779 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -173.77 84.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 2.9 mtpt -94.38 81.8 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.434 ' CG ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -97.02 132.48 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -154.73 19.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.5 OUTLIER 156.2 -169.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 149' ' ' GLU . 7.8 t -67.63 -53.7 25.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.512 ' N ' HG23 ' A' ' 148' ' ' THR . 0.2 OUTLIER -85.62 6.7 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 147' ' ' ASP . 7.3 mmtp -115.06 103.01 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.506 ' HB2' ' CG1' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -172.26 58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 4.9 mttt -45.7 113.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.754 ' C ' HD13 ' A' ' 154' ' ' LEU . 1.5 p-10 -109.31 150.83 27.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.854 HD21 ' HA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -168.13 -163.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 154' ' ' LEU . 6.7 ptm180 -25.3 137.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 83.44 -5.85 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.642 ' HA ' ' CD1' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -35.53 -77.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 35.86 -118.38 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER -67.27 -58.92 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.779 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.9 -31.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 165' ' ' GLU . 6.1 tmm_? -73.84 -70.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.14 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 65.8 m-20 -69.82 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.718 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -81.3 13.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.7 tp10 -106.2 -43.28 4.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.76 -37.91 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -71.81 -49.01 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' A' ' 164' ' ' ILE . 0.3 OUTLIER -39.26 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -36.93 -64.12 0.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 171' ' ' GLU . 3.7 mtt -38.78 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 172' ' ' GLY . 17.2 pt-20 -37.91 -44.15 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 171' ' ' GLU . . . -48.08 -54.29 12.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 176' ' ' MET . 5.4 mtm180 -68.44 -60.09 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.496 ' O ' ' CA ' ' A' ' 178' ' ' GLU . 4.9 mmmt -40.43 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.398 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.3 OUTLIER -81.41 -48.4 11.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.122 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 173' ' ' ARG . 9.8 tpp -45.41 -44.89 12.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 178' ' ' GLU . 9.9 m-85 -105.0 -57.61 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 179' ' ' ALA . 4.2 pt-20 51.22 15.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.557 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 27.76 60.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.41 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -116.47 -83.83 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -134.75 84.75 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 134' ' ' MET . 58.1 t -67.26 -68.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.0 OUTLIER -37.1 -32.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.7 mmt -70.84 -54.87 9.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 132' ' ' VAL . 2.0 t0 -51.6 -34.73 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.92 -44.22 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.4 OUTLIER -53.46 -62.43 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.79 -47.02 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' ALA . 2.4 t-20 -38.01 -63.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.48 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.4 -138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.57 ' CB ' ' O ' ' A' ' 141' ' ' LYS . 0.9 OUTLIER 91.73 53.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.12 HG13 ' CH2' ' A' ' 160' ' ' TRP . 55.4 t 67.91 119.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 8.9 pttp -155.34 100.18 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -130.95 162.44 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -145.53 12.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.495 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 0.6 OUTLIER 157.61 -167.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -48.57 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.681 ' H ' HG23 ' A' ' 148' ' ' THR . 2.2 mm-40 -43.52 -63.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.27 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.636 ' CG ' HD13 ' A' ' 164' ' ' ILE . 4.8 tm-20 -156.77 111.47 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 144' ' ' LYS . 4.6 mmtp -103.65 103.81 13.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.757 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -99.31 143.89 29.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -162.39 -164.55 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -28.62 135.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 14.3 t0 86.74 -6.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.729 HG11 ' OD2' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -36.21 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 157' ' ' VAL . . . 36.03 -119.96 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.496 ' O ' ' C ' ' A' ' 160' ' ' TRP . 19.3 m-20 -66.89 -59.86 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 0.726 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.12 ' CH2' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -35.62 -36.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.586 ' HB2' ' CB ' ' A' ' 157' ' ' VAL . 61.3 ttt180 -72.62 -77.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 161' ' ' ARG . 13.4 tmtt? -31.36 -39.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.8 m-80 -61.62 -75.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.636 HD13 ' CG ' ' A' ' 151' ' ' GLU . 1.2 pp -56.07 -48.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -39.86 -50.55 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.14 -75.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -41.17 -59.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.458 ' N ' ' CG ' ' A' ' 167' ' ' LYS . 6.1 m -81.05 56.56 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 179.52 -74.81 0.06 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -37.0 7.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.794 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.488 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 7.3 mm-40 -57.7 -81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 171' ' ' GLU . . . -36.49 -41.63 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 176' ' ' MET . 2.7 mtt180 -52.78 -62.03 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.57 ' O ' ' CA ' ' A' ' 178' ' ' GLU . 4.6 mmmt -61.5 -18.32 58.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 171' ' ' GLU . 0.0 OUTLIER -88.74 -10.52 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 4.6 ptm -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 1.164 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -115.82 -21.23 9.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 111.063 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 4.7 tt0 30.09 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 1.164 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -150.87 103.34 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.51 143.5 10.41 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.22 100.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.734 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' HG2' ' CG ' ' A' ' 134' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 134' ' ' MET . 32.3 t -65.42 -67.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.1 OUTLIER -37.71 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.2 mmt -71.95 -54.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -51.89 -31.97 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 24.6 tp -72.21 -49.21 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 5.1 mtt180 -48.41 -56.36 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -67.36 -46.9 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.8 t30 -39.31 -41.82 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.04 -36.29 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.695 ' CE ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -114.32 99.71 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.393 1.058 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' ' 141' ' ' LYS . 1.0 OUTLIER 178.89 48.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.045 HG13 ' CE2' ' A' ' 160' ' ' TRP . 58.0 t 67.9 73.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.47 ' CD ' ' HB2' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -136.42 120.28 17.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.532 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 3.0 pttm -147.1 155.91 42.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -140.33 9.31 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.427 ' HB3' ' CD ' ' A' ' 150' ' ' LYS . 5.1 t0 172.08 -149.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -70.44 -98.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.688 ' H ' HG23 ' A' ' 148' ' ' THR . 0.0 OUTLIER -36.66 -49.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.427 ' CD ' ' HB3' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -65.52 74.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.395 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.649 ' HG2' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -138.33 90.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.47 ' HB2' ' CD ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.98 102.97 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.975 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -107.31 145.44 32.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.975 HD13 ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -144.16 -172.81 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -41.5 -39.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.472 ' OD1' HG21 ' A' ' 143' ' ' VAL . 12.2 t70 -66.15 -2.58 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -37.98 -71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.699 ' H ' HG23 ' A' ' 157' ' ' VAL . . . 42.93 -130.6 5.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 160' ' ' TRP . 5.0 p-10 -69.3 -49.49 55.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 0.743 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.045 ' CE2' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -38.45 -59.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.645 ' O ' ' N ' ' A' ' 165' ' ' GLU . 12.7 ttp180 -58.84 -72.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.618 ' C ' ' O ' ' A' ' 161' ' ' ARG . 1.4 tptp -22.35 -53.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 161' ' ' ARG . 77.4 m-20 -54.58 -65.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.79 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.5 pp -76.21 5.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 161' ' ' ARG . 15.4 tp10 -84.95 -44.35 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -102.02 -45.43 5.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.641 ' NZ ' HG22 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -67.32 -9.49 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 87.17 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 157.42 -64.11 0.31 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.2 tpp -40.93 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.73 -34.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 175' ' ' LYS . . . -68.09 -62.54 4.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.545 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -55.47 -16.78 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.6 mtmt -84.91 -44.23 13.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.486 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.3 OUTLIER -82.14 -2.46 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.569 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 3.8 ptm -100.27 -45.48 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 1.205 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -97.98 -11.03 23.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.542 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER 28.02 86.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.24 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 1.205 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -148.6 -178.57 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 84.22 167.33 42.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -106.96 -49.35 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 135' ' ' ASP . 78.2 t -54.04 -57.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.683 ' ND2' ' H ' ' A' ' 134' ' ' MET . 0.2 OUTLIER -37.65 -46.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.683 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 15.5 mmt -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -48.5 -49.29 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 139' ' ' ASN . 0.5 OUTLIER -68.6 -45.58 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 1.6 mmt85 -46.07 -57.48 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -70.48 -43.87 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' LEU . 6.3 t-20 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mp -88.82 -33.89 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.573 ' CE ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -114.24 93.25 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.606 ' C ' HG13 ' A' ' 143' ' ' VAL . 1.8 pp0? -179.71 93.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.725 ' N ' HD11 ' A' ' 154' ' ' LEU . 0.7 OUTLIER 52.15 103.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.3 OUTLIER -107.91 64.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 156.06 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.47 -40.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 149' ' ' GLU . 26.3 m-20 -162.61 158.85 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.517 ' O ' ' CA ' ' A' ' 168' ' ' SER . 0.6 OUTLIER -39.39 -27.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.387 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 147' ' ' ASP . 22.5 pt-20 -104.84 -37.26 7.09 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -82.93 122.34 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 151' ' ' GLU . 1.9 pp20? 177.47 112.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -85.86 116.49 24.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.557 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -97.31 104.67 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.393 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.725 HD11 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -105.19 -176.63 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.497 ' O ' HD23 ' A' ' 154' ' ' LEU . 1.9 ptm180 -36.13 152.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 157' ' ' VAL . 2.5 t70 77.13 1.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.689 HG23 ' HB3' ' A' ' 161' ' ' ARG . 1.7 m -25.04 -58.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.616 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 38.29 -147.55 0.11 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -34.22 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.666 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -44.71 -50.32 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 107.955 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.689 ' HB3' HG23 ' A' ' 157' ' ' VAL . 55.6 ttt180 -68.12 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -38.37 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 160' ' ' TRP . 12.1 m-80 -70.63 -74.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 160' ' ' TRP . 0.0 OUTLIER -79.81 23.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.172 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 161' ' ' ARG . 15.0 tt0 -118.95 -33.42 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -98.79 -37.92 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -95.9 -31.68 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.517 ' CA ' ' O ' ' A' ' 148' ' ' THR . 1.8 m -112.88 48.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -160.35 -56.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -33.7 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.67 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -40.62 -38.62 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -50.93 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -53.18 -30.45 37.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.405 ' HE2' ' CA ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -69.07 -20.92 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 176' ' ' MET . 2.6 tpt -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.708 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -177.59 66.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 179' ' ' ALA . 29.4 tt0 -37.89 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 178' ' ' GLU . . . 74.33 56.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 177.26 179.93 47.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 47.81 94.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 133' ' ' ASN . 76.8 t -60.52 -59.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.686 ' ND2' ' H ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -37.24 -43.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.686 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 84.9 mmm -66.22 -50.53 63.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 13.1 t70 -52.53 -34.5 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 29.8 tp -70.71 -51.07 29.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -48.29 -60.13 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 142' ' ' GLN . . . -61.98 -61.77 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.2 t30 -37.79 -33.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 138' ' ' ALA . 12.9 mt -82.98 -76.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.703 ' HE2' HD12 ' A' ' 154' ' ' LEU . 21.9 mtpt -54.88 -67.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.667 ' C ' HG13 ' A' ' 143' ' ' VAL . 0.0 OUTLIER 32.03 85.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.43 1.082 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.829 HG12 ' CD1' ' A' ' 160' ' ' TRP . 1.3 m 61.53 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 4.0 mmtt -129.13 60.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -67.06 143.01 56.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.2 mt-10 -149.04 14.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.1 m-20 151.76 142.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.7 t -46.39 -32.12 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.523 ' O ' ' CE ' ' A' ' 150' ' ' LYS . 0.5 OUTLIER -105.38 35.22 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -172.54 105.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.16 104.05 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -68.7 114.28 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.989 ' HB2' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -103.23 121.04 41.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.704 HD21 ' H ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -112.25 -170.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -62.57 139.89 58.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 7.2 t0 84.91 -1.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.14 HG23 ' NE1' ' A' ' 160' ' ' TRP . 8.6 p -60.19 -59.58 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 161' ' ' ARG . . . 9.66 -85.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 157' ' ' VAL . 37.2 m-20 -35.94 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.14 ' NE1' HG23 ' A' ' 157' ' ' VAL . 1.7 p-90 -53.17 -23.65 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.011 ' HB2' HG22 ' A' ' 157' ' ' VAL . 2.0 tmt_? -63.81 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.9 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 161' ' ' ARG . 2.5 m120 -52.77 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.922 HD13 ' H ' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -73.1 -42.03 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.922 ' H ' HD13 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -36.79 -45.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.222 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.17 -50.97 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -99.8 65.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 0.9 OUTLIER -176.91 35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.978 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 160.61 -54.87 0.33 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -31.59 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 111.04 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -59.87 -53.59 56.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.12 -56.36 22.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -41.69 -51.54 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 176' ' ' MET . 21.2 mmtm -65.01 -52.41 56.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -29.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.44 ' N ' ' C ' ' A' ' 174' ' ' LYS . 0.6 OUTLIER -85.24 -43.97 13.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.61 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -164.22 71.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.27 97.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -104.21 73.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -158.36 105.6 0.27 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.41 118.09 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 82.6 t -72.53 -68.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -38.12 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -75.01 -54.39 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 39.5 t0 -50.26 -41.16 49.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -66.47 -50.51 63.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 12.8 mmt180 -50.26 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -53.17 -52.49 58.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 6.8 t30 -37.5 -50.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -55.52 25.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HG3' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -122.74 111.36 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 1.024 ' O ' HD21 ' A' ' 154' ' ' LEU . 7.8 pt20 -152.83 -43.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.672 HG12 ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -166.83 110.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 145' ' ' LYS . 1.9 mmmt -138.26 149.63 45.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 21.8 pttt -179.3 -169.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -166.95 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 150' ' ' LYS . 14.2 m-20 -152.62 161.76 42.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -43.8 -42.04 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.7 mt-10 -90.62 31.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -164.6 76.45 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.527 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.1 OUTLIER -127.12 108.33 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -87.99 111.54 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.476 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.3 OUTLIER -114.25 133.18 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.024 HD21 ' O ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -109.83 -176.01 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -49.3 -36.97 22.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t0 -62.18 -0.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 158' ' ' GLY . 1.0 OUTLIER -24.58 -67.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.741 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 34.43 -141.08 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.1 m-20 -68.54 -40.03 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.677 ' CG ' ' N ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -41.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.688 ' CB ' HG22 ' A' ' 157' ' ' VAL . 0.8 OUTLIER -56.28 -65.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 161' ' ' ARG . 2.4 tptm -25.22 -48.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.507 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 41.5 m-80 -63.36 -60.94 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.754 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.7 pp -79.8 15.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -103.58 -40.92 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -98.44 -39.61 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -90.11 40.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 148' ' ' THR . 78.1 p -133.5 -62.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.73 -83.06 0.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.4 ttp -44.98 -26.35 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 0.715 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -70.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -45.28 -32.54 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -74.22 -68.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 0.734 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -45.45 -25.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -83.87 -39.49 19.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.561 ' CG ' ' N ' ' A' ' 177' ' ' PHE . 5.2 ptm -53.3 -44.81 68.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.588 ' CE1' ' HA ' ' A' ' 174' ' ' LYS . 0.1 OUTLIER -98.77 -15.86 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.941 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.555 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER 27.65 79.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.225 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.47 ' O ' ' CE2' ' A' ' 177' ' ' PHE . . . -168.61 64.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 158.95 146.06 4.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -114.2 160.76 18.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.952 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.469 ' HG2' ' CG ' ' A' ' 134' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.0 t -64.22 -63.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.94 -33.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.469 ' CG ' ' HG2' ' A' ' 131' ' ' LYS . 3.1 mmt -73.47 -53.26 11.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.5 OUTLIER -50.39 -37.97 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -48.19 60.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -48.23 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -58.59 -50.31 74.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.0 t30 -37.59 -42.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.69 -47.34 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.802 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -124.68 120.78 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.826 ' HA ' HD21 ' A' ' 154' ' ' LEU . 4.0 pt20 -164.0 -41.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.801 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -170.58 89.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HB2' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -106.81 69.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.436 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 141.25 28.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.642 1.214 . . . . 0.0 109.334 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 4.5 mt-10 -150.07 15.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.8 m-20 152.04 -172.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 149' ' ' GLU . 9.2 t -63.73 -53.76 46.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.509 ' N ' HG23 ' A' ' 148' ' ' THR . 1.4 mt-10 -73.95 -26.14 60.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 96.9 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -155.38 95.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.494 ' HG2' ' CE ' ' A' ' 141' ' ' LYS . 19.6 tttt -91.57 103.04 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.673 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -108.35 144.78 35.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.997 ' O ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -160.48 -165.6 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.514 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -30.02 143.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 21.2 t0 81.54 -6.72 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.997 HG13 ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -39.36 -75.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.573 ' H ' HG23 ' A' ' 157' ' ' VAL . . . 34.42 -105.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -78.74 -61.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.801 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -33.55 -44.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.969 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.676 ' HB2' HG12 ' A' ' 157' ' ' VAL . 1.3 ttt180 -70.88 -67.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -32.68 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.7 m120 -65.4 -75.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.854 HD12 ' CD ' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -49.88 -52.08 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 151' ' ' GLU . 0.5 OUTLIER -42.48 -49.33 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.452 ' C ' ' N ' ' A' ' 168' ' ' SER . 14.5 tt0 -70.51 -76.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.19 -31.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 23.0 t -80.66 -58.0 3.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.083 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 171' ' ' GLU . . . -54.71 -64.62 4.17 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.01 -27.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 169' ' ' GLY . 0.7 OUTLIER -76.88 -54.08 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -54.73 -27.96 44.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -81.4 -61.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 173' ' ' ARG . 25.1 mmmt -39.89 -42.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.19 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -75.47 -38.74 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.8 OUTLIER -53.3 -51.38 62.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -96.53 -63.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 179' ' ' ALA . 2.1 mt-10 73.46 -2.6 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 35.15 50.3 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 43.5 74.42 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.0 83.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.182 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 134' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' ASP . 63.0 t -79.21 -66.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 134' ' ' MET . 3.3 p30 -37.6 -49.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 135' ' ' ASP . 2.6 ppp? -69.93 -40.36 75.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.3 t70 -55.99 -36.33 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -48.8 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -47.95 -60.02 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 141' ' ' LYS . . . -59.16 -52.27 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 138' ' ' ALA . 38.3 t-20 -38.41 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.0 -32.07 52.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.554 ' NZ ' HD12 ' A' ' 154' ' ' LEU . 13.5 tttm -85.97 -116.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 13.6 pt20 35.57 91.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.002 HG22 ' CE2' ' A' ' 160' ' ' TRP . 50.4 t 53.57 78.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -122.59 91.21 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -105.43 158.09 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -174.9 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 150' ' ' LYS . 53.6 m-20 -161.36 158.27 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 147' ' ' ASP . 0.1 OUTLIER -37.54 -43.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.18 -37.14 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.8 OUTLIER -88.55 86.94 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.499 ' CD ' HD13 ' A' ' 164' ' ' ILE . 6.9 tm-20 -162.49 107.92 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.501 ' CG ' ' CE ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -115.3 116.26 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.566 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -113.13 128.69 56.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.841 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -107.25 -175.27 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.05 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -47.65 -21.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 157' ' ' VAL . 14.0 t70 -77.39 10.29 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.958 HG23 ' HB3' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -34.48 -71.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.722 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 43.4 -141.47 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.25 -31.54 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.002 ' CE2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -48.26 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 107.938 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.958 ' HB3' HG23 ' A' ' 157' ' ' VAL . 1.9 ttt180 -57.83 -62.12 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 161' ' ' ARG . 6.4 tptt -23.71 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' A' ' 165' ' ' GLU . 50.9 m-20 -60.73 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.732 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.9 pp -78.32 17.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.68 ' N ' ' O ' ' A' ' 161' ' ' ARG . 47.2 tt0 -101.75 -41.3 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -97.36 -40.39 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -79.75 -25.93 40.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 3.2 m -130.45 68.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.62 -63.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 10.7 mtt -65.97 -49.03 69.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.29 -35.84 51.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -71.55 -52.72 11.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -59.77 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.496 ' HB3' ' CG ' ' A' ' 178' ' ' GLU . 8.3 mmtm -58.76 -46.84 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -45.58 -33.76 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -38.97 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.649 ' O ' ' CG ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -169.76 76.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.496 ' CG ' ' HB3' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -40.69 104.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -101.78 94.1 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 182' ' ' SER . . . -92.26 94.28 1.89 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.16 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 0.724 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 180' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.974 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 76.2 t -65.13 -62.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -36.87 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 132' ' ' VAL . 3.8 mtt -74.63 -54.79 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 132' ' ' VAL . 24.0 t0 -48.41 -35.28 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.2 tp -72.57 -51.78 18.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -45.13 -63.76 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.427 1.08 . . . . 0.0 110.348 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -59.27 -53.41 58.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.1 t30 -36.08 -39.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -51.33 14.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.833 ' HG2' HD12 ' A' ' 154' ' ' LEU . 1.5 mttp -123.14 126.82 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.8 pt20 -175.66 54.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.042 HG22 ' NE1' ' A' ' 160' ' ' TRP . 14.1 t 65.69 77.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 151' ' ' GLU . 0.2 OUTLIER -89.2 130.91 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.567 ' HD2' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -148.83 124.18 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.25 14.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.45 ' O ' ' NZ ' ' A' ' 145' ' ' LYS . 1.2 t0 169.67 -156.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.0 t -96.17 -28.77 14.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.09 -18.54 13.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 107.02 19.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -169.32 -179.09 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.71 112.96 1.25 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.463 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -93.45 140.52 29.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.833 HD12 ' HG2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -153.47 -170.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.685 ' O ' ' CB ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -38.42 94.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.685 ' CB ' ' O ' ' A' ' 155' ' ' ARG . 8.2 t70 139.34 -9.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.707 HG22 ' N ' ' A' ' 158' ' ' GLY . 1.1 m -24.66 -63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.707 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 32.26 -134.49 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.91 -39.4 72.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.042 ' NE1' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -43.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.686 ' HD2' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -53.68 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -28.35 -54.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 165' ' ' GLU . 60.2 m-20 -55.67 -58.63 7.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 164' ' ' ILE . 1.9 pp -81.87 17.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tt0 -103.41 -39.77 6.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -29.14 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -19.85 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.9 m -135.57 45.57 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -156.59 -63.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -29.02 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.46 -61.14 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.1 -50.5 58.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.609 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mtm-85 -47.64 -53.82 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 178' ' ' GLU . 21.7 mmtm -64.59 -34.16 77.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.435 ' CE ' ' C ' ' A' ' 175' ' ' LYS . 0.9 OUTLIER -67.29 -18.69 65.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.42 ' HB3' ' O ' ' A' ' 173' ' ' ARG . 0.0 OUTLIER -84.92 -54.32 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 173' ' ' ARG . 16.1 p90 -121.51 -30.72 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.69 ' O ' ' HB3' ' A' ' 179' ' ' ALA . 2.4 tt0 71.98 -64.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 178' ' ' GLU . . . 83.21 79.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 149.89 -151.08 23.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -124.61 -56.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.471 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' MET . 98.2 t -68.72 -70.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -35.91 -34.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 131' ' ' LYS . 8.9 mtt -69.11 -59.09 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 139' ' ' ASN . 27.2 t0 -58.49 -19.55 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.21 -65.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -49.56 -55.97 11.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -53.73 -59.79 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.39 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 17.4 t30 -48.52 -29.37 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.64 -86.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.483 ' CG ' ' H ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -59.65 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.483 ' H ' ' CG ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER 79.66 58.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.854 HG13 ' CH2' ' A' ' 160' ' ' TRP . 49.1 t 61.94 130.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 109.373 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -145.84 81.14 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.1 OUTLIER -118.08 145.94 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.2 OUTLIER -115.61 -33.1 5.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.61 -80.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.599 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 1.2 t -120.44 136.49 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 148' ' ' THR . 4.0 mm-40 70.18 5.14 5.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.599 ' CD ' ' O ' ' A' ' 148' ' ' THR . 0.0 OUTLIER -137.67 95.63 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.515 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -151.79 74.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 143' ' ' VAL . 1.8 ttmt -67.94 109.46 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.656 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -106.79 129.03 54.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -116.07 -173.19 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -49.57 -37.1 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 157' ' ' VAL . 4.0 t70 -62.32 -5.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.97 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -31.4 -69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.801 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 34.94 -134.2 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.9 OUTLIER -61.85 -56.63 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.914 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -33.88 -40.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.972 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.97 ' CB ' HG13 ' A' ' 157' ' ' VAL . 1.3 tmm_? -66.31 -72.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.02 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.6 m-20 -62.78 -79.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.914 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -49.02 -53.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -38.11 -53.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.3 -53.84 46.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 84.74 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.7 t -170.52 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -86.06 -48.56 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -46.18 63.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.73 -38.98 84.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.08 -48.75 61.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 176' ' ' MET . 92.5 mtt180 -73.04 -65.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 173' ' ' ARG . 58.8 mmtt -37.65 -32.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.0 OUTLIER -77.27 -52.06 9.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 173' ' ' ARG . 0.5 OUTLIER -40.47 -45.37 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.046 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -102.22 -65.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 179' ' ' ALA . 0.0 OUTLIER 73.55 -1.44 3.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . 36.42 80.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -117.84 -81.42 0.8 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -72.77 96.38 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.974 . . . . . . . . 0 0 . 1 stop_ save_