data_1z0q_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 1z0q _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 ' 7' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.4 t -57.22 156.71 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.59 -26.92 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -138.35 -44.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tt0 -45.93 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.18 -26.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.869 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -79.73 -72.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.9 t-160 -18.98 -58.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.562 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -42.05 -17.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.869 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -26.41 -49.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -128.05 -31.16 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 14' ' ' HIS . 0.9 OUTLIER -30.78 -61.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.214 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -41.66 -22.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 111.042 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.761 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -98.1 -68.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -59.96 -26.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.648 ' N ' ' O ' ' A' ' 18' ' ' VAL . 5.4 tm-20 -73.35 -38.19 65.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 109.278 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 4.2 p -85.02 125.18 40.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.22 -41.61 3.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.045 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 36.2 t -44.75 -47.76 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.48 -25.87 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.716 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.52 -61.67 1.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.577 0.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.716 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 8.4 tt0 -43.6 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 8' ' ' SER . 12.4 p -51.8 -21.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.838 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.41 -66.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.531 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.748 ' CD2' ' CG2' ' A' ' 18' ' ' VAL . 2.0 t-160 -22.43 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -44.48 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.838 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -29.1 -48.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.2 mt -141.41 -18.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.748 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 40.5 t -45.86 -66.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -46.16 -16.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.548 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -99.79 -70.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -57.01 -23.41 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tm-20 -79.48 -32.22 42.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -30.37 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.78 -65.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -32.21 -35.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' VAL . 26.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.551 0.795 . . . . 0.0 110.06 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.492 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -45.1 -49.45 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.942 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -39.8 -25.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -98.19 -60.84 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -43.72 -66.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 8' ' ' SER . 8.8 p -53.43 -20.37 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.231 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.64 -72.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.667 ' CD2' ' CG2' ' A' ' 18' ' ' VAL . 6.9 t-160 -23.5 -58.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.385 1.053 . . . . 0.0 109.563 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.46 -9.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.96 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -154.3 -15.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.667 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 21.5 t -40.69 -69.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.493 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -48.72 -16.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -94.7 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -66.1 -27.83 68.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.611 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.8 tm-20 -79.67 -19.93 47.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 26' ' ' SER . 0.4 OUTLIER -87.93 -42.46 12.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.527 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 7.7 p -63.4 -60.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -71.9 -7.18 65.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -34.24 68.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -53.18 -16.88 4.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.598 1.186 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.721 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.61 -61.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.618 0.834 . . . . 0.0 111.067 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.721 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 38.4 tt0 -42.48 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' CE ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -45.44 -30.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.24 -52.14 17.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.537 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -46.14 -33.64 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.806 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.45 -4.59 57.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.703 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.69 -46.4 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -81.15 -9.94 59.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.806 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -45.04 -62.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.703 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.34 0.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -108.46 -45.53 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -94.06 -35.85 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.397 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.63 -2.02 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.13 -49.46 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.384 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.53 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 5.1 p -52.55 -62.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -71.3 -14.23 74.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 5.3 t -46.91 -48.86 21.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.411 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -39.66 -26.62 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -96.03 -61.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.98 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 tt0 -40.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.38 -22.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.903 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -83.77 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.751 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.8 t-160 -20.92 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.666 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.81 -17.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.903 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.3 tppt? -36.9 -53.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -104.32 -53.93 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.5 -43.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.226 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.625 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.22 -60.31 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.567 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -43.75 -48.27 8.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' HG22 ' A' ' 24' ' ' VAL . . . -74.59 -41.49 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.25 -31.82 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.8 -32.25 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -84.38 120.83 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.19 -48.68 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.483 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 5.9 t -41.36 -51.23 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.12 -25.55 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.8 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.727 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -44.31 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 8' ' ' SER . 7.2 p -45.31 -28.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.875 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -73.05 -72.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.621 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.871 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 t-160 -27.3 -55.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -49.74 -9.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.91 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -150.63 -30.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.871 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -28.51 -73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.212 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -24.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.789 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.19 -69.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -60.0 -43.4 95.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 18' ' ' VAL . 11.2 tp10 -54.46 -30.63 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -80.53 -47.25 14.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -91.46 -77.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.9 -31.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -149.01 -50.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.953 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.557 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -80.82 27.47 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -175.49 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.25 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.3 p -49.61 -23.69 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 109.387 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.817 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -78.31 -72.47 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.689 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.689 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.2 t-160 -31.19 -51.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.553 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.614 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -49.27 -20.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.817 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.2 tppt? -24.5 -53.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -110.86 -55.14 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.689 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -26.92 -46.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.4 t80 -54.65 -58.94 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -43.97 -40.36 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -86.14 -28.92 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.16 -10.25 59.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.6 t0 -101.9 -46.07 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 26' ' ' SER . 13.5 p -57.8 85.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 32.64 33.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 24' ' ' VAL . 2.6 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.544 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.514 ' HA ' ' CD ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER 69.91 -46.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.872 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.69 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -79.72 18.38 7.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.6 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 15.7 pt-20 -37.56 -53.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.358 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.576 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 8.8 p -66.27 -40.02 85.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -64.82 -67.29 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.668 ' CD2' HG21 ' A' ' 18' ' ' VAL . 2.5 t-160 -33.61 -50.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.675 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.642 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -47.72 -19.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.715 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.7 tppt? -24.82 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -139.46 -20.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.668 HG21 ' CD2' ' A' ' 14' ' ' HIS . 24.9 t -47.32 -64.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -15.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -100.06 -70.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.909 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -59.38 -20.04 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.208 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.599 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 9.3 tm-20 -82.44 -27.81 31.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.19 -31.84 30.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.3 -55.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -84.43 28.24 4.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.478 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.3 t -71.42 7.84 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.618 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.84 6.62 52.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.607 1.192 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.737 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.16 -35.59 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.5 pt-20 -35.08 -53.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 7.3 p -67.15 -38.43 81.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.878 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -72.82 -62.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.508 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.745 ' O ' HG22 ' A' ' 18' ' ' VAL . 5.4 t-160 -25.01 -56.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.664 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.64 -17.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.878 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.2 tppt? -37.78 -53.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 19' ' ' PHE . 2.4 tt -103.54 -55.27 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -23.58 -45.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -52.68 -59.02 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -44.85 -51.84 9.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.86 -32.95 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -60.89 -29.52 69.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.76 -45.9 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.49 -76.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -36.97 -29.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.44 151.75 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.066 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.66 -11.93 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -117.2 -57.29 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.705 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 3.9 tt0 -59.71 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -57.55 -22.26 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.78 -69.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.9 t-160 -21.83 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.559 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.664 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.76 -17.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.8 tppt? -37.05 -54.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.3 tt -104.14 -55.09 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.74 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -23.37 -44.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -51.84 -59.16 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -46.1 -47.91 17.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 111.077 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -75.46 -29.51 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.6 tm-20 -67.7 -26.79 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.222 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -82.49 -8.43 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.214 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -120.18 -76.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -49.49 -21.14 2.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.387 0.698 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 11' ' ' GLU . 2.6 t -70.4 6.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.624 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.56 7.36 53.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.738 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -174.96 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.591 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.1 pt-20 -37.68 -53.58 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 13.1 p -66.12 -35.92 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.945 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -74.16 -64.16 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.4 t-160 -31.3 -47.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.54 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.695 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.26 -7.71 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.945 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -25.39 -45.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -121.08 -49.83 2.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.695 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -33.5 -38.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.2 t80 -59.03 -57.97 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -45.06 -39.41 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -86.25 -28.32 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -70.51 -26.47 63.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -25.08 24.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -97.0 120.56 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.36 -35.2 3.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.514 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 26.4 t -51.08 -26.45 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.97 -10.48 33.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.386 1.053 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.707 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -106.04 -61.75 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.499 0.764 . . . . 0.0 111.056 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.707 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.4 pp20? -43.5 -55.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -64.63 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.616 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -73.66 -51.49 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.569 ' O ' HG21 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -46.27 -34.0 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.787 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.4 -3.78 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.5 tppt? -100.32 -45.78 5.48 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.38 -15.48 57.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.787 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.62 -56.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.28 -10.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -104.49 -44.67 4.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 24' ' ' VAL . . . -80.41 -50.73 9.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.2 tp10 -58.08 -21.19 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -87.32 -23.74 24.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' ALA . 1.9 p -108.0 118.79 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.18 4.98 39.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.939 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' GLY . 1.9 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.1 t 47.05 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -34.54 -29.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.75 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -83.26 -61.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 111.042 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.75 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.4 pt-20 -46.67 -52.05 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.554 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 4.0 p -64.69 -20.58 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.17 -68.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.503 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.745 ' O ' HG21 ' A' ' 18' ' ' VAL . 4.5 t-160 -22.44 -55.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.677 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.6 tp-100 -45.97 -17.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.2 tppt? -36.96 -54.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -103.79 -54.04 2.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.745 HG21 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.16 -43.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.6 -59.63 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -45.57 -38.48 6.53 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -85.31 -32.2 22.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.173 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -75.88 -8.65 57.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t0 -101.06 -50.98 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.535 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 4.7 p -51.35 -61.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.422 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -68.52 -16.07 69.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.763 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 1.9 t -53.91 127.17 25.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.7 -7.42 15.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.081 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -163.83 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -65.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.79 -25.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.891 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.54 -69.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.697 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.68 ' CD2' ' CG2' ' A' ' 18' ' ' VAL . 7.8 t-160 -25.13 -57.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.4 -9.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.25 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -154.65 -14.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.68 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 21.6 t -40.38 -72.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.85 -19.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -95.1 -70.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' LEU . . . -58.81 -29.72 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.5 tm-20 -70.54 -31.04 67.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.594 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -78.69 -40.78 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.333 1.02 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -94.41 -72.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.39 -31.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.097 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 10' ' ' TYR . 11.8 t -46.32 -46.88 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -41.85 -24.2 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.711 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.21 -61.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 111.052 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.711 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 3.3 tt0 -42.18 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.71 -22.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.57 -69.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.756 ' O ' HG22 ' A' ' 18' ' ' VAL . 7.2 t-160 -21.08 -55.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.705 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.61 -16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.4 tppt? -41.45 -53.73 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.679 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.09 -55.73 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -22.48 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -43.15 -46.58 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -86.0 -41.94 14.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -77.65 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.712 ' N ' ' O ' ' A' ' 18' ' ' VAL . 2.8 tm-20 -35.05 -40.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -60.13 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 21' ' ' ALA . 2.4 p -65.14 126.87 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.08 -45.05 3.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.063 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -69.59 0.56 5.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.655 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -95.88 7.81 67.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.661 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -175.78 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.606 0.827 . . . . 0.0 111.01 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' ASP . 2.6 tt0 -39.81 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.5 p -45.16 -26.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.827 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -75.87 -75.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.761 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.0 t-160 -29.4 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.635 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.616 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.6 -17.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.827 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.62 -45.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -122.36 -50.07 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.761 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -28.21 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -55.24 -58.96 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.06 -47.11 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -77.43 -34.5 54.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.44 -33.31 63.48 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -65.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.535 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -48.75 -71.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -33.24 -37.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' VAL . 2.6 m . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.608 0.828 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.653 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.66 122.4 14.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.8 -5.0 9.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -164.34 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.24 -67.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -53.98 -27.77 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.905 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -78.73 -68.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' HG21 ' A' ' 18' ' ' VAL . 6.3 t-160 -21.5 -56.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.665 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.49 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.905 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -38.14 -53.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.6 tt -103.89 -55.1 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -23.33 -45.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.9 t80 -52.2 -59.4 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.09 -50.3 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 111.049 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -73.33 -34.35 65.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.05 -25.39 63.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -46.17 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.89 -74.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -39.76 -26.75 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 14.5 t -49.59 -41.47 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -46.16 -21.2 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -100.04 -62.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 11.7 tt0 -44.51 -65.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 8' ' ' SER . 11.0 p -52.97 -20.74 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.853 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -86.95 -67.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.636 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.756 ' CD2' ' CG2' ' A' ' 18' ' ' VAL . 1.6 t-160 -22.78 -53.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.8 -17.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.212 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.853 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.6 tppt? -35.49 -52.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -132.62 -17.8 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.756 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 18.3 t -55.59 -11.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -108.36 0.87 21.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -126.92 -42.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -88.89 -9.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 4.0 tm-20 -97.72 -25.99 14.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -5.55 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.585 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.75 -102.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.71 -26.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.6 t -68.71 1.11 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.628 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -96.23 6.1 65.91 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -174.28 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 0.69 . . . . 0.0 111.042 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 7' ' ' ASP . 13.2 tt0 -34.62 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -47.66 -35.11 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.842 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.69 -68.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.772 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 t-160 -20.42 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.661 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.641 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 2.1 tp-100 -41.71 -20.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.842 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -32.62 -57.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -105.58 -53.29 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.772 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.08 -43.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.649 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.17 -59.28 4.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -45.65 -47.64 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -76.47 -30.24 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -59.92 -36.18 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.535 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -57.22 -60.45 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.02 -27.87 15.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 2.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.477 ' CG ' ' O ' ' A' ' 7' ' ' ASP . 11.7 p-10 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 t -154.96 -48.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.97 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.539 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -81.81 25.8 3.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -173.18 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.74 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' O ' ' CE ' ' A' ' 16' ' ' LYS . 1.8 p -47.47 -33.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.734 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -71.01 -55.12 8.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.646 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.6 t-160 -41.9 -38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.809 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.09 -1.58 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.734 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -99.24 -50.08 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.79 -12.03 57.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.809 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.15 -77.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.226 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -41.98 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.527 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.44 -65.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -70.52 -34.91 72.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 tp10 -57.27 -25.41 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -86.82 -63.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -61.55 -67.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -56.59 -15.52 12.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 23.9 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -39.42 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.929 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -48.13 -21.51 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.25 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 111.022 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.701 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 2.6 tt0 -41.09 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 13' ' ' HIS . 1.3 p -46.95 -24.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -80.76 -51.59 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -38.48 -38.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.553 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.983 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 6.2 tp-100 -74.24 -5.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.843 ' N ' ' O ' ' A' ' 13' ' ' HIS . 4.2 tppt? -75.21 -53.55 8.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' ' C ' ' A' ' 18' ' ' VAL . 1.5 tt -61.53 -54.89 37.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.983 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.52 -53.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 4.1 m-30 -53.76 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.6 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -49.01 -43.0 39.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -75.01 -40.25 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.11 -19.37 64.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t70 -91.84 -42.33 10.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 9.1 p -75.18 100.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.48 29.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.1 t -58.77 -24.87 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 13' ' ' HIS . . . -63.14 -9.39 28.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.3 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 0.727 . . . . 0.0 111.069 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 19.9 pt-20 -45.19 -55.46 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -65.17 -20.7 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.755 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -84.41 -55.51 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.747 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 t-160 -42.77 -33.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.423 1.077 . . . . 0.0 109.653 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.859 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -87.1 -10.49 52.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.755 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -47.3 -66.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -6.51 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.859 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -98.95 -10.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -111.1 -3.03 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -33.25 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -98.41 -38.99 9.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -77.96 0.6 23.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.75 -42.92 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 7.4 p -60.12 -58.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.415 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -91.49 6.55 80.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.1 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.542 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 30.9 t -59.24 -30.28 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.068 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.12 -9.97 13.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.127 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.82 -62.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.5 pt-20 -45.91 -54.58 7.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.542 ' CG1' ' O ' ' A' ' 8' ' ' SER . 10.0 p -63.29 -21.77 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.932 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.72 -70.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.535 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.869 ' O ' HG21 ' A' ' 18' ' ' VAL . 9.7 t-160 -23.99 -60.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.6 -8.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.235 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.932 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.15 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -149.74 -27.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.869 HG21 ' O ' ' A' ' 14' ' ' HIS . 1.2 t -28.86 -74.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.93 -29.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.732 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -80.21 -69.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.668 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -62.98 -56.86 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.08 -38.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -51.81 33.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.668 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.8 m -77.13 136.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . . . 87.43 -40.74 3.08 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 29.5 t -94.04 -50.22 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.927 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -43.21 -22.2 0.18 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.86 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 111.011 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 7.4 tt0 -43.85 -66.22 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 8' ' ' SER . 12.2 p -52.51 -20.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.912 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.25 -72.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.911 ' O ' HG22 ' A' ' 18' ' ' VAL . 9.8 t-160 -22.45 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -47.44 -9.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.912 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.82 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -149.78 -23.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 14' ' ' HIS . 1.6 t -32.85 -73.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.71 -22.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -89.71 -65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 110.958 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -64.47 -32.37 73.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -74.32 -20.21 60.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 26' ' ' SER . 4.8 m-20 -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.543 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 3.8 p -53.1 -61.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.213 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -62.27 -20.81 61.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.395 1.059 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.0 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.461 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -64.59 -19.17 65.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.043 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.31 -2.27 47.55 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.683 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.41 -60.22 1.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 0.711 . . . . 0.0 111.081 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.683 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 28.0 tt0 -53.4 -72.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.496 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 1.6 p -49.34 -24.0 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.726 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -82.09 -48.74 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.666 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.644 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -43.33 -39.18 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.635 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.825 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.44 -3.25 55.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.726 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.42 -48.78 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.61 -22.13 63.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.825 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.17 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.7 m-85 -51.79 -55.74 18.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.56 -41.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.511 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -92.35 -28.98 16.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.3 mm-40 -79.84 4.29 17.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -117.42 -48.36 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.511 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 6.3 p -53.65 -59.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.34 -3.83 89.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.751 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.768 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 7' ' ' ASP . 28.1 t -23.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.977 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -41.03 -25.43 0.12 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.14 -139.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 0.812 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.663 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 30.96 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.375 1.047 . . . . 0.0 110.331 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.642 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -43.63 -36.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.884 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.2 -68.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.661 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.573 ' O ' HG21 ' A' ' 18' ' ' VAL . 1.4 t-160 -39.3 -29.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.495 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.793 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 2.5 tp60 -87.79 -6.22 58.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.884 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -98.24 -32.35 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -87.67 -11.9 47.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.793 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -47.05 -62.33 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.95 2.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.486 ' HB3' ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -107.55 -43.03 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.925 -179.885 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -95.37 -37.76 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -74.95 -2.36 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.29 -50.04 3.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.553 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 3.9 p -53.63 -64.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.47 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -62.93 -19.75 61.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.586 1.178 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.613 0.831 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.682 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' ' C ' ' A' ' 9' ' ' GLY . 31.1 t -44.71 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -5.67 -104.76 0.0 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.759 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -30.69 -70.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 111.052 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.682 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 3.7 tp10 -27.34 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 9' ' ' GLY . 2.8 p -38.75 -44.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -59.6 -71.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.639 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.798 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.4 t-160 -28.63 -54.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.615 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.92 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.777 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -21.4 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -130.68 -37.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.798 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -33.35 -64.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -43.77 -24.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.718 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.19 -68.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.669 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -65.64 -49.94 66.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 18' ' ' VAL . 7.3 tp10 -42.52 -35.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -50.19 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.669 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.1 m -78.15 141.06 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.65 -44.05 3.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.449 0.734 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 11' ' ' GLU . 29.9 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -4.63 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.612 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -88.13 5.85 84.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -173.37 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 110.992 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' ASP . 15.4 tt0 -37.44 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.95 -30.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.976 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -76.11 -69.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.654 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.5 t-160 -27.83 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.682 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -7.48 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.976 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.07 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -122.31 -49.63 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.917 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.682 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -34.07 -38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.3 t80 -59.07 -57.27 13.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.589 1.181 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.01 -46.53 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -77.8 -32.85 52.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.83 -36.33 67.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.57 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -56.76 -74.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -36.44 -31.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.646 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.58 151.32 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.019 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.27 -31.05 8.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -133.35 -40.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 19.3 tt0 -46.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -45.14 -30.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.183 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.4 m170 -70.21 -70.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.599 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.9 t-160 -38.83 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.062 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.754 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 6.0 tp60 -91.35 -8.79 47.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.92 -34.61 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.511 ' N ' ' CE ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -82.31 -21.05 36.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.754 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.65 -47.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -53.69 -29.94 41.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.46 -41.62 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' VAL . . . -74.61 -66.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.56 -36.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -70.49 -51.45 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.7 p -77.5 134.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . . . 88.59 -40.27 3.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.369 0.688 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -80.2 5.92 13.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.672 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -110.24 16.11 29.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.12 -55.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.607 0.827 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.2 tt0 -30.5 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -46.4 -39.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.929 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -64.87 -71.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.594 ' O ' HG21 ' A' ' 18' ' ' VAL . 1.9 t-160 -31.39 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.8 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -68.07 -4.42 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.929 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -98.45 -31.41 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -94.0 3.7 54.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.8 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -59.98 -84.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CZ ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -38.6 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 111.028 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD2' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -68.95 -60.03 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 111.056 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -79.82 -29.72 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.45 -15.26 63.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 19' ' ' PHE . 2.4 m-20 -99.05 -56.17 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 9.6 p -58.3 93.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.07 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.31 29.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.405 ' HA ' ' CD2' ' A' ' 6' ' ' HIS . 4.8 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.84 -138.39 0.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.18 -45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -123.21 -47.56 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -19.27 10.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.637 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 2.6 t60 -102.11 -71.73 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.63 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -37.04 -28.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 6' ' ' HIS . 25.4 t -57.22 156.71 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.59 -26.92 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -138.35 -44.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tt0 -45.93 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.18 -26.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.869 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -79.73 -72.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.9 t-160 -18.98 -58.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -42.05 -17.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.869 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -26.41 -49.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -128.05 -31.16 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 14' ' ' HIS . 0.9 OUTLIER -30.78 -61.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.214 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -41.66 -22.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 111.042 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.761 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -98.1 -68.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -59.96 -26.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.648 ' N ' ' O ' ' A' ' 18' ' ' VAL . 5.4 tm-20 -73.35 -38.19 65.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 4.2 p -85.02 125.18 40.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.22 -41.61 3.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -95.56 19.05 11.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -159.36 -58.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -47.37 -63.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -49.92 -34.74 23.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.55 -5.23 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 0.728 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' GLY . 43.9 mt -90.99 -24.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' LEU . 1.7 mm -86.25 -176.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' MET . . . 56.77 -82.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -37.39 -31.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 0.769 . . . . 0.0 109.259 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.655 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -88.98 -48.53 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.931 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t 65.69 -14.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.655 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 115.65 34.86 1.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.618 1.199 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.41 -108.05 2.98 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 40' ' ' VAL . 53.2 t -55.44 -16.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 47.46 -173.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 6.4 mm -42.98 164.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 24.4 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 1' ' ' ASP . . . 78.79 117.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.226 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.71 11.59 2.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' SER . 0.2 OUTLIER 70.61 -31.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.623 1.202 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.579 ' H ' ' C ' ' A' ' 3' ' ' GLU . 3.4 ptm180 -38.86 -40.5 0.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 9.1 t-80 -77.95 -74.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' HIS . 2.1 m-20 -39.74 -60.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 36.2 t -44.75 -47.76 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.48 -25.87 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.716 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.52 -61.67 1.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.577 0.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.716 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 8.4 tt0 -43.6 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 8' ' ' SER . 12.4 p -51.8 -21.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.838 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.41 -66.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.531 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.748 ' CD2' ' CG2' ' A' ' 18' ' ' VAL . 2.0 t-160 -22.43 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -44.48 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.838 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -29.1 -48.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.2 mt -141.41 -18.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.748 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 40.5 t -45.86 -66.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -46.16 -16.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.548 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -99.79 -70.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -57.01 -23.41 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tm-20 -79.48 -32.22 42.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -30.37 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.78 -65.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -32.21 -35.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' VAL . 26.7 m -88.13 -96.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 0.795 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.7 m-20 172.87 -84.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -146.08 -78.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -49.22 -42.09 31.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 26' ' ' SER . . . -58.81 -7.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' H ' ' C ' ' A' ' 29' ' ' GLY . 2.6 mp -110.73 -16.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -135.05 -90.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 45.15 -161.44 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mp -40.38 -36.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.652 ' C ' ' H ' ' A' ' 37' ' ' GLY . 1.2 mtt -56.75 -63.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t 66.24 -13.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 158.83 -50.05 0.41 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.499 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -143.11 7.52 2.1 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 0.9 OUTLIER 79.63 -25.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 39' ' ' VAL . 55.5 t -32.9 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -44.65 162.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -128.69 -138.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 80.62 -50.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.8 m-30 -57.86 -29.81 65.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -20.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -63.62 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.29 -33.5 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.492 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -45.1 -49.45 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.942 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -39.8 -25.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -98.19 -60.84 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -43.72 -66.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 8' ' ' SER . 8.8 p -53.43 -20.37 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.231 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.64 -72.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.667 ' CD2' ' CG2' ' A' ' 18' ' ' VAL . 6.9 t-160 -23.5 -58.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.385 1.053 . . . . 0.0 109.563 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.46 -9.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.96 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -154.3 -15.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.667 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 21.5 t -40.69 -69.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.493 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -48.72 -16.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -94.7 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -66.1 -27.83 68.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.611 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.8 tm-20 -79.67 -19.93 47.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 26' ' ' SER . 0.4 OUTLIER -87.93 -42.46 12.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.527 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 7.7 p -63.4 -60.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -71.9 -7.18 65.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -50.22 -36.72 32.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -173.59 -72.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 31' ' ' ILE . 25.3 mtmt -148.79 93.09 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.566 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 55.7 17.28 13.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 89.26 11.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -35.63 -60.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER 80.83 -52.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 32' ' ' ILE . . . -43.28 -25.09 0.4 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.441 1.088 . . . . 0.0 111.042 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -61.21 -37.45 83.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.602 0.825 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.35 -13.36 43.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.92 -9.27 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.92 22.36 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -120.31 -107.76 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.532 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 87.0 t -54.44 -15.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 39' ' ' VAL . 25.4 t -161.37 124.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -161.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.51 77.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -82.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' ARG . 47.0 m-85 -61.17 -31.97 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 4.3 ptm180 -36.09 -38.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.2 t-160 -92.72 -68.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.65 -30.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -34.24 68.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -53.18 -16.88 4.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.598 1.186 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.721 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.61 -61.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.618 0.834 . . . . 0.0 111.067 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.721 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 38.4 tt0 -42.48 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' CE ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -45.44 -30.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.24 -52.14 17.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.537 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -46.14 -33.64 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.806 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.45 -4.59 57.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.703 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.69 -46.4 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -81.15 -9.94 59.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.806 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -45.04 -62.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.703 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.34 0.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -108.46 -45.53 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -94.06 -35.85 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.397 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.63 -2.02 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -109.13 -49.46 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.384 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.53 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 5.1 p -52.55 -62.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -71.3 -14.23 74.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.17 55.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' ASP . 6.3 m-20 -88.54 -87.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.388 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 31' ' ' ILE . 10.5 mmtm -139.17 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ILE . . . -83.26 -55.15 2.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.608 1.192 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.69 -10.53 1.64 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.516 0.774 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' GLY . 7.5 mt -41.25 -42.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' LEU . 3.5 mp -71.77 -81.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' CA ' HG21 ' A' ' 36' ' ' VAL . . . 40.85 -94.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' ILE . 1.1 mm? -53.71 -23.01 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -88.59 -11.75 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.923 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 HG21 ' CA ' ' A' ' 33' ' ' GLY . 80.9 t -48.62 -21.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -176.14 32.64 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.579 1.174 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.9 -111.48 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' VAL . 59.4 t -63.61 -13.46 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 55.16 167.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.414 ' N ' HG13 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -62.49 155.79 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.56 ' OD2' ' CE1' ' A' ' 6' ' ' HIS . 6.5 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.02 -138.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -127.76 -61.6 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.128 . . . . 0.0 110.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -116.87 -33.16 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.19 5.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.56 ' CE1' ' OD2' ' A' ' 1' ' ' ASP . 15.0 t60 -82.54 -74.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.514 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 173.47 -34.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 5.3 t -46.91 -48.86 21.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.411 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -39.66 -26.62 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -96.03 -61.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.98 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 tt0 -40.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.38 -22.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.903 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -83.77 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.751 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.8 t-160 -20.92 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.666 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.81 -17.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.903 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.3 tppt? -36.9 -53.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -104.32 -53.93 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.5 -43.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.226 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.625 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.22 -60.31 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.567 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -43.75 -48.27 8.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' HG22 ' A' ' 24' ' ' VAL . . . -74.59 -41.49 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.25 -31.82 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -83.8 -32.25 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -84.38 120.83 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.19 -48.68 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -73.76 -2.53 23.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 23' ' ' ASP . 1.5 m120 -99.18 -93.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 6.7 mmtm -116.27 -24.23 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 53.97 15.01 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.607 1.192 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 88.2 14.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 0.802 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.3 mt -33.41 -45.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -39.95 -53.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . -51.05 -42.73 48.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -55.19 -19.23 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.196 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.463 ' C ' ' N ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -93.48 -9.44 38.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.465 ' CG2' ' HA2' ' A' ' 33' ' ' GLY . 38.4 t -40.54 -27.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 174.97 32.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.535 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -123.82 -9.33 5.8 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 4.2 t 70.78 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.392 0.701 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 41' ' ' ILE . 2.1 t 61.81 -78.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' VAL . 7.1 mt -44.34 167.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.46 -138.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -162.64 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.582 ' CD1' ' HA3' ' A' ' 9' ' ' GLY . 5.3 m-30 -82.0 -64.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 78.11 -28.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.477 ' H ' ' C ' ' A' ' 4' ' ' PHE . 2.2 t-160 -142.73 -53.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.44 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.483 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 5.9 t -41.36 -51.23 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.582 ' HA3' ' CD1' ' A' ' 4' ' ' PHE . . . -40.12 -25.55 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.8 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.727 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -44.31 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 8' ' ' SER . 7.2 p -45.31 -28.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.875 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -73.05 -72.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.621 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.871 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 t-160 -27.3 -55.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -49.74 -9.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.91 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -150.63 -30.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.871 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -28.51 -73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.212 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -24.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.789 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.19 -69.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -60.0 -43.4 95.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 18' ' ' VAL . 11.2 tp10 -54.46 -30.63 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -80.53 -47.25 14.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -91.46 -77.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.9 -31.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -129.85 57.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -69.72 -39.29 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 12.8 mmmt -46.47 -43.4 16.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -85.23 -35.36 12.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.39 -2.64 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -72.35 -24.41 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 33' ' ' GLY . 3.7 mm -85.13 -92.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' HG21 ' A' ' 32' ' ' ILE . . . 40.14 -160.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.405 1.066 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -39.5 -36.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.656 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.6 mtt -54.57 -60.93 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t 65.57 -13.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.656 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 159.02 -50.62 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -142.64 6.88 2.18 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 1.1 t 78.62 -24.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.499 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -32.84 137.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.406 ' CG1' ' H ' ' A' ' 42' ' ' ALA . 1.5 tt -64.3 -174.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' H ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.345 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 1' ' ' ASP . . . 165.15 95.47 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.398 1.061 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.646 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -132.91 6.02 3.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 66.71 -22.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.646 ' H ' ' C ' ' A' ' 3' ' ' GLU . 4.5 ttt85 -109.64 -15.08 14.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.22 -36.44 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.705 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -136.76 86.68 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -149.01 -50.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.953 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.557 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -80.82 27.47 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -175.49 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.25 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.3 p -49.61 -23.69 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 109.387 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.817 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -78.31 -72.47 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.689 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.689 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.2 t-160 -31.19 -51.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.553 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.614 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -49.27 -20.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.817 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.2 tppt? -24.5 -53.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -110.86 -55.14 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.689 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -26.92 -46.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.4 t80 -54.65 -58.94 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -43.97 -40.36 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -86.14 -28.92 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.16 -10.25 59.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.6 t0 -101.9 -46.07 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 26' ' ' SER . 13.5 p -57.8 85.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 32.64 33.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 24' ' ' VAL . 2.6 t 57.99 58.24 3.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' CB ' HG12 ' A' ' 24' ' ' VAL . 1.2 m-20 -36.33 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' ILE . 5.8 mmmt -140.1 -45.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 31' ' ' ILE . . . -45.8 -49.27 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB1' ' CB ' ' A' ' 26' ' ' SER . . . -58.26 -9.94 1.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 0.734 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' LYS . 8.8 mt -105.64 7.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -46.51 -26.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 36' ' ' VAL . . . -44.71 -27.72 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -20.03 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.536 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -90.73 2.69 55.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 33' ' ' GLY . 2.0 m -41.95 -33.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.96 -32.89 22.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.578 1.174 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 35' ' ' MET . . . -92.84 -105.73 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' VAL . 3.6 t -51.23 -16.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.815 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER 58.09 160.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 1.2 tt -56.04 -166.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.72 -136.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -176.62 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -57.82 -31.19 66.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -70.35 -33.19 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -83.35 -32.94 25.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.629 1.206 . . . . 0.0 109.541 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.544 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 1.2 m-20 -36.89 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.514 ' HA ' ' CD ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER 69.91 -46.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.872 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.69 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -79.72 18.38 7.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.6 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 15.7 pt-20 -37.56 -53.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.358 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.576 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 8.8 p -66.27 -40.02 85.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -64.82 -67.29 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.668 ' CD2' HG21 ' A' ' 18' ' ' VAL . 2.5 t-160 -33.61 -50.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.675 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.642 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -47.72 -19.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.715 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.7 tppt? -24.82 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -139.46 -20.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.668 HG21 ' CD2' ' A' ' 14' ' ' HIS . 24.9 t -47.32 -64.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -15.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -100.06 -70.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.909 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -59.38 -20.04 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.208 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.599 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 9.3 tm-20 -82.44 -27.81 31.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t70 -82.19 -31.84 30.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.3 -55.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -84.43 28.24 4.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER 176.77 41.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 5.5 t-20 -74.38 -38.56 63.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 4.6 mmtt -43.74 -61.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -56.23 -33.83 61.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.451 1.095 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.22 -6.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 0.79 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 28' ' ' LYS . 34.5 mt -85.33 -24.67 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' LEU . 94.4 mt -54.86 -102.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . 39.38 -93.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -52.54 -25.7 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.49 ' SD ' ' CG1' ' A' ' 41' ' ' ILE . 2.5 ttt -83.94 -13.08 54.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 32' ' ' ILE . 96.0 t -54.29 -16.76 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -169.59 29.82 0.14 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.54 -111.19 3.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' VAL . 84.8 t -64.54 -13.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 40' ' ' VAL . 1.7 t 36.68 88.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' CG1' ' SD ' ' A' ' 35' ' ' MET . 2.6 mm -57.8 158.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.77 -138.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.582 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 2.2 tp10 -117.39 -10.1 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 167.05 -45.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -21.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.568 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -109.98 -55.0 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.395 1.059 . . . . 0.0 109.645 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -42.97 -23.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.478 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.3 t -71.42 7.84 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.618 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.84 6.62 52.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.607 1.192 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.737 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.16 -35.59 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.5 pt-20 -35.08 -53.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 7.3 p -67.15 -38.43 81.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.878 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -72.82 -62.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.508 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.745 ' O ' HG22 ' A' ' 18' ' ' VAL . 5.4 t-160 -25.01 -56.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.664 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.64 -17.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.878 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.2 tppt? -37.78 -53.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 19' ' ' PHE . 2.4 tt -103.54 -55.27 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -23.58 -45.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -52.68 -59.02 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -44.85 -51.84 9.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.86 -32.95 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -60.89 -29.52 69.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.76 -45.9 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.49 -76.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -36.97 -29.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -131.83 62.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 0.0 110.013 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -65.54 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -138.45 -48.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.68 -55.17 11.55 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 -8.28 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.374 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 32' ' ' ILE . 4.9 mp -118.68 6.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER 58.31 139.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -158.79 -82.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -39.06 -30.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 0.805 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.68 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -82.55 -46.58 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 68.03 -20.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.68 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 115.81 4.51 19.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.581 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -122.51 -5.16 8.65 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.581 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t 73.39 -10.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER 52.06 177.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 34.92 -146.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.512 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.64 -138.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.57 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.31 10.94 2.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER 69.77 -29.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -48.75 -22.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -31.93 16.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' PHE . 3.0 m-20 66.71 4.84 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.44 151.75 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.066 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.66 -11.93 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -117.2 -57.29 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.705 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 3.9 tt0 -59.71 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -57.55 -22.26 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.78 -69.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.9 t-160 -21.83 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.559 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.664 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.76 -17.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.8 tppt? -37.05 -54.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.3 tt -104.14 -55.09 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.74 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -23.37 -44.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -51.84 -59.16 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -46.1 -47.91 17.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 111.077 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -75.46 -29.51 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.6 tm-20 -67.7 -26.79 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.222 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 2.0 t0 -82.49 -8.43 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.214 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -120.18 -76.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -49.49 -21.14 2.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -133.58 58.94 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.387 0.698 . . . . 0.0 110.034 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -171.43 -51.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.399 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -48.14 33.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' CG2' ' A' ' 32' ' ' ILE . . . -77.34 -36.01 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.36 -2.68 4.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 0.816 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 32' ' ' ILE . 23.5 mt -53.42 -50.78 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -39.51 158.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' N ' ' CG1' ' A' ' 32' ' ' ILE . . . 67.75 -59.51 0.34 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -62.21 -38.42 89.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 0.823 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 37' ' ' GLY . 19.8 mmt -104.94 0.87 28.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -42.97 -27.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 109.382 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -124.85 37.57 2.55 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.398 1.061 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -132.89 -107.88 1.06 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 82.5 t -55.35 -13.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 39' ' ' VAL . 38.4 t -159.48 115.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.7 mm -79.02 2.04 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.473 1.108 . . . . 0.0 109.212 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.327 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 -137.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.598 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.4 tp10 -118.39 -7.81 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 166.04 -45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -21.21 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -106.93 -52.86 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.545 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.45 -23.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 11' ' ' GLU . 2.6 t -70.4 6.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.624 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.56 7.36 53.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.738 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -174.96 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.591 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.1 pt-20 -37.68 -53.58 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 13.1 p -66.12 -35.92 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.945 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -74.16 -64.16 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.4 t-160 -31.3 -47.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.54 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.695 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.26 -7.71 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.945 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -25.39 -45.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -121.08 -49.83 2.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.695 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -33.5 -38.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.2 t80 -59.03 -57.97 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -45.06 -39.41 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -86.25 -28.32 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -70.51 -26.47 63.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -25.08 24.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -97.0 120.56 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.36 -35.2 3.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.19 33.52 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -168.1 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -71.16 -40.45 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -44.01 -22.19 0.29 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 163.95 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER 70.16 1.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 34' ' ' LEU . 63.5 mt -77.19 -91.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . 34.75 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -43.73 -35.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -89.24 -26.48 21.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.475 ' CB ' HG21 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -40.08 -27.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.487 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -48.02 -50.32 21.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.588 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -156.08 -8.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 71.9 t 74.52 -7.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.444 0.732 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 39' ' ' VAL . 11.1 t -163.72 110.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 35.32 -146.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -104.19 -136.85 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 4.8 tp10 90.12 -25.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' SER . 22.2 m-85 -116.42 -25.17 7.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -47.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 8' ' ' SER . 2.6 t-80 -130.1 -50.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -42.86 -27.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.514 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 26.4 t -51.08 -26.45 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.97 -10.48 33.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.386 1.053 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.707 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -106.04 -61.75 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.499 0.764 . . . . 0.0 111.056 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.707 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.4 pp20? -43.5 -55.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -64.63 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.616 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -73.66 -51.49 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.569 ' O ' HG21 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -46.27 -34.0 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.787 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.4 -3.78 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.5 tppt? -100.32 -45.78 5.48 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.38 -15.48 57.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.787 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.62 -56.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.28 -10.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -104.49 -44.67 4.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 24' ' ' VAL . . . -80.41 -50.73 9.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.2 tp10 -58.08 -21.19 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 2.0 t70 -87.32 -23.74 24.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' ALA . 1.9 p -108.0 118.79 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 30' ' ' ALA . . . 68.18 4.98 39.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -138.2 24.04 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.939 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 4.2 m-20 -88.01 -87.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -139.44 -56.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 31' ' ' ILE . . . -47.71 -63.94 3.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' CB ' ' HA2' ' A' ' 25' ' ' GLY . . . -56.91 -12.52 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 26' ' ' SER . 2.0 mm -90.48 -23.55 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -47.93 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' HA2' ' CG2' ' A' ' 36' ' ' VAL . . . -56.81 -19.29 28.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.53 1.144 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' CG2' ' A' ' 40' ' ' VAL . 8.3 tp -74.0 -23.74 59.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -110.89 -11.03 14.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.514 ' CG2' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -50.48 -20.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 178.18 29.31 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.089 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -122.13 -13.6 4.85 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 5.3 t 68.98 -1.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 38' ' ' GLY . 1.1 t 73.12 123.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.62 150.86 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . -115.55 -138.12 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 2.9 tp10 82.0 -48.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -54.19 -29.8 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 26.2 ptt85 -39.69 -40.82 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.488 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.2 t-160 -53.78 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' GLY . 1.9 m-20 -39.29 -68.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.1 t 47.05 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -34.54 -29.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.75 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -83.26 -61.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 111.042 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.75 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.4 pt-20 -46.67 -52.05 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.554 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 4.0 p -64.69 -20.58 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.17 -68.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.503 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.745 ' O ' HG21 ' A' ' 18' ' ' VAL . 4.5 t-160 -22.44 -55.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.677 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.6 tp-100 -45.97 -17.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.2 tppt? -36.96 -54.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -103.79 -54.04 2.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.745 HG21 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.16 -43.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.6 -59.63 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -45.57 -38.48 6.53 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -85.31 -32.2 22.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.173 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -75.88 -8.65 57.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' CG ' ' CB ' ' A' ' 30' ' ' ALA . 1.2 t0 -101.06 -50.98 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.535 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 4.7 p -51.35 -61.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.422 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -68.52 -16.07 69.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -126.93 54.88 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.92 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ASP . 22.0 t-20 -45.95 -26.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' ILE . 20.3 mmtm -46.81 -50.15 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -71.9 -36.16 61.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.492 ' CB ' ' CG ' ' A' ' 23' ' ' ASP . . . -68.16 -1.42 6.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.207 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 9.3 mm -53.96 -41.11 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' O ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -86.73 -160.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' A' ' 35' ' ' MET . . . 57.42 144.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 0.1 OUTLIER 78.02 -23.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.349 0.676 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' GLY . 13.5 mtt -132.51 3.6 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.505 ' CG2' ' HA2' ' A' ' 33' ' ' GLY . 12.5 t -33.96 -32.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 35' ' ' MET . . . -151.06 -65.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.539 ' O ' ' CB ' ' A' ' 39' ' ' VAL . . . -144.76 8.65 1.79 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 34' ' ' LEU . 3.9 t 89.18 -22.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.234 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' ILE . 72.0 t -33.09 -87.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.605 ' C ' ' O ' ' A' ' 40' ' ' VAL . 9.4 mt 20.82 -129.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.622 1.201 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' H ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.614 ' CB ' ' CD2' ' A' ' 6' ' ' HIS . . . 62.71 109.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -115.26 -18.96 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 162.58 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -35.5 -47.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.614 ' CD2' ' CB ' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -62.74 -75.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.763 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -25.12 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 6' ' ' HIS . 1.9 t -53.91 127.17 25.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.7 -7.42 15.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.081 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -163.83 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -65.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.79 -25.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.891 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.54 -69.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.697 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.68 ' CD2' ' CG2' ' A' ' 18' ' ' VAL . 7.8 t-160 -25.13 -57.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.4 -9.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.25 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -154.65 -14.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.68 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 21.6 t -40.38 -72.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.85 -19.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -95.1 -70.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' LEU . . . -58.81 -29.72 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.5 tm-20 -70.54 -31.04 67.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.594 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -78.69 -40.78 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.333 1.02 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -94.41 -72.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.39 -31.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -41.03 -27.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.097 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER 71.36 -60.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.599 ' CB ' HD13 ' A' ' 31' ' ' ILE . 6.5 mmtt -144.61 -36.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 82.6 16.8 69.9 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.398 1.061 . . . . 0.0 111.013 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 90.46 12.4 0.05 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 28' ' ' LYS . 3.8 mt -27.43 -53.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 6.0 mt -68.0 -78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 36' ' ' VAL . . . 41.39 -94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' ILE . 2.1 tp -54.46 -21.29 9.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.429 ' C ' ' N ' ' A' ' 37' ' ' GLY . 3.9 mtt -91.53 -10.9 39.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 33' ' ' GLY . 70.4 t -44.86 -24.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 172.32 36.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.4 -111.17 2.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 40' ' ' VAL . 54.9 t -63.2 -13.48 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.573 0.808 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -32.73 -40.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.351 1.032 . . . . 0.0 109.236 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 4.1 tt -47.47 164.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.31 -136.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -171.68 -47.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -47.18 -30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -48.18 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.638 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.83 -41.32 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 10' ' ' TYR . 11.8 t -46.32 -46.88 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -41.85 -24.2 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.711 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.21 -61.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 111.052 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.711 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 3.3 tt0 -42.18 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.71 -22.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.57 -69.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.756 ' O ' HG22 ' A' ' 18' ' ' VAL . 7.2 t-160 -21.08 -55.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.705 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.61 -16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.4 tppt? -41.45 -53.73 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.679 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.09 -55.73 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -22.48 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -43.15 -46.58 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -86.0 -41.94 14.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -77.65 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.712 ' N ' ' O ' ' A' ' 18' ' ' VAL . 2.8 tm-20 -35.05 -40.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -60.13 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 21' ' ' ALA . 2.4 p -65.14 126.87 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.08 -45.05 3.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -103.3 35.71 2.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.063 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -83.5 -49.69 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 29.8 mmtm -46.1 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' C ' ' N ' ' A' ' 31' ' ' ILE . . . -44.12 -32.37 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -54.36 -11.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 1.5 mp -78.18 -15.63 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.537 ' CG2' ' N ' ' A' ' 33' ' ' GLY . 64.5 mt 38.7 -97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' N ' ' CG2' ' A' ' 32' ' ' ILE . . . 34.01 86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.433 1.083 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 48.74 20.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.361 0.683 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.93 14.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 111.079 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.7 t -57.61 -19.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.14 -2.09 61.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -120.6 -109.47 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.25 -17.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' N ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER 56.24 174.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.525 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 1.5 tp -56.07 -166.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.525 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.599 ' OD2' ' CD2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.19 46.36 23.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -175.54 -50.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CD2' ' OD2' ' A' ' 1' ' ' ASP . 6.9 m-30 -43.14 -33.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 1.5 ptp85 -39.2 -40.42 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -102.21 -50.96 3.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -45.94 -23.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 6' ' ' HIS . 18.6 t -69.59 0.56 5.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.655 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -95.88 7.81 67.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.661 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -175.78 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.606 0.827 . . . . 0.0 111.01 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' ASP . 2.6 tt0 -39.81 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.5 p -45.16 -26.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.827 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -75.87 -75.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.761 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.0 t-160 -29.4 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.635 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.616 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.6 -17.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.827 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.62 -45.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -122.36 -50.07 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.761 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -28.21 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -55.24 -58.96 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.06 -47.11 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -77.43 -34.5 54.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.44 -33.31 63.48 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -65.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.535 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -48.75 -71.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -33.24 -37.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.508 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 2.6 m -85.18 43.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 0.828 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -64.58 -68.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 17.0 mmtt -138.8 -46.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -76.21 -69.9 1.34 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -65.14 2.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 29' ' ' GLY . 1.0 OUTLIER -31.08 -59.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.368 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' LEU . 2.7 mt -135.85 -77.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 32' ' ' ILE . . . 44.33 -90.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 32' ' ' ILE . 5.3 tp -53.42 -19.02 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.478 ' CB ' HG22 ' A' ' 32' ' ' ILE . 2.9 mtm -91.26 -4.75 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 33' ' ' GLY . 3.0 t -48.86 -22.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -72.37 -29.07 66.71 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.479 1.112 . . . . 0.0 111.061 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.711 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . 125.94 76.81 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 2.9 t 66.82 -24.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.711 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER 58.63 112.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 42.5 mm -61.1 167.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.64 -138.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.59 -51.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' O ' ' OG ' ' A' ' 8' ' ' SER . 73.9 m-85 -114.76 -31.91 5.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.95 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -8.79 30.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 110.191 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -86.47 -77.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.634 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.653 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -28.97 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.66 122.4 14.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.8 -5.0 9.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -164.34 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.24 -67.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -53.98 -27.77 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.905 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -78.73 -68.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' HG21 ' A' ' 18' ' ' VAL . 6.3 t-160 -21.5 -56.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.665 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.49 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.905 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -38.14 -53.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.6 tt -103.89 -55.1 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -23.33 -45.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.9 t80 -52.2 -59.4 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.09 -50.3 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 111.049 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -73.33 -34.35 65.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.05 -25.39 63.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -46.17 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.89 -74.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -39.76 -26.75 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -34.32 -56.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.516 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 30.6 t-20 78.06 -54.77 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 27' ' ' ASN . 13.3 mmmt -151.06 92.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.681 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 48.2 32.3 9.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.681 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 99.41 -21.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' LYS . 1.6 tt 40.5 26.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG13 ' CB ' ' A' ' 30' ' ' ALA . 1.4 pp -128.09 -54.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.6 -41.01 33.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -29.54 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 0.808 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -9.85 23.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ILE . 4.4 t -63.73 -11.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.26 16.47 1.89 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.61 -110.67 2.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.612 0.831 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' VAL . 61.9 t -95.62 -13.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.724 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 51.97 176.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.417 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.4 mp -51.79 166.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.497 ' HB3' ' CD2' ' A' ' 6' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.14 -137.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 4' ' ' PHE . 2.8 mm-40 -119.7 -34.65 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 39.8 m-85 -157.06 -43.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -20.48 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.497 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 2.4 t60 -66.85 -77.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -149.05 -38.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.19 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 14.5 t -49.59 -41.47 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -46.16 -21.2 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -100.04 -62.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 11.7 tt0 -44.51 -65.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 8' ' ' SER . 11.0 p -52.97 -20.74 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.853 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -86.95 -67.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.636 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.756 ' CD2' ' CG2' ' A' ' 18' ' ' VAL . 1.6 t-160 -22.78 -53.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.8 -17.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.212 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.853 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.6 tppt? -35.49 -52.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -132.62 -17.8 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.756 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 18.3 t -55.59 -11.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -108.36 0.87 21.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -126.92 -42.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -88.89 -9.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 4.0 tm-20 -97.72 -25.99 14.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -5.55 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.585 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.75 -102.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.71 -26.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -108.41 48.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -45.31 -49.64 12.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -154.85 95.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.625 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 56.22 15.81 12.12 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 93.32 7.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 0.828 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -37.53 -45.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' GLY . 19.0 mt -86.07 -106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.569 ' C ' ' H ' ' A' ' 35' ' ' MET . . . 57.08 148.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 73.72 -22.78 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.705 ' C ' ' H ' ' A' ' 37' ' ' GLY . 16.2 mtt -121.45 -37.2 2.94 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.548 1.155 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t 63.49 -13.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.705 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 120.68 35.92 0.81 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -104.01 -107.27 3.17 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' C ' ' N ' ' A' ' 41' ' ' ILE . 7.1 t -53.13 -16.58 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.791 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 41' ' ' ILE . 7.9 p -38.5 -30.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.517 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -47.99 161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.17 33.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.625 ' O ' ' CD2' ' A' ' 6' ' ' HIS . 0.8 OUTLIER -146.51 -83.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 8' ' ' SER . 7.7 m-30 -37.19 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -37.79 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -64.86 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.564 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 31.6 t -68.71 1.11 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.628 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -96.23 6.1 65.91 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -174.28 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 0.69 . . . . 0.0 111.042 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 7' ' ' ASP . 13.2 tt0 -34.62 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -47.66 -35.11 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.842 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.69 -68.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.772 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 t-160 -20.42 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.661 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.641 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 2.1 tp-100 -41.71 -20.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.842 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -32.62 -57.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -105.58 -53.29 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.772 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.08 -43.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.649 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.17 -59.28 4.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -45.65 -47.64 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -76.47 -30.24 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -59.92 -36.18 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.535 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -57.22 -60.45 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.02 -27.87 15.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 2.4 m -73.18 -4.51 33.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.038 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.75 HD21 ' N ' ' A' ' 28' ' ' LYS . 1.1 t30 -55.07 -84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.75 ' N ' HD21 ' A' ' 27' ' ' ASN . 7.7 mmpt? 64.07 101.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 32' ' ' ILE . . . 155.89 -42.82 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.46 2.96 8.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 0.739 . . . . 0.0 109.346 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.92 5.18 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 29' ' ' GLY . 8.2 mt -42.14 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.539 ' O ' ' CG2' ' A' ' 36' ' ' VAL . . . 40.48 -94.31 0.01 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -53.41 -21.04 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 0.832 . . . . 0.0 109.253 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' GLY . 3.1 mtm -100.91 3.36 41.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 33' ' ' GLY . 2.9 m -34.3 -36.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' MET . . . 178.41 35.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -106.23 -110.83 3.52 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 40' ' ' VAL . 75.2 t -65.82 -13.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.581 0.812 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -34.17 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -55.95 158.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.59 68.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.366 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.558 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 1.4 tt0 -103.51 -24.16 13.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' ASP . 5.2 m-85 -116.05 -28.08 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -26.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -103.01 -26.47 13.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 6' ' ' HIS . 11.7 p-10 25.97 79.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.432 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 t -154.96 -48.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.97 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.539 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -81.81 25.8 3.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -173.18 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.74 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' O ' ' CE ' ' A' ' 16' ' ' LYS . 1.8 p -47.47 -33.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.734 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -71.01 -55.12 8.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.646 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.6 t-160 -41.9 -38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.809 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.09 -1.58 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.734 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -99.24 -50.08 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.79 -12.03 57.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.809 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.15 -77.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.226 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -41.98 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.44 -65.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -70.52 -34.91 72.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 tp10 -57.27 -25.41 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -86.82 -63.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -61.55 -67.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -56.59 -15.52 12.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -145.8 70.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.542 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 56.8 t-20 -98.16 -108.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -92.58 -51.11 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' N ' ' CG ' ' A' ' 28' ' ' LYS . . . -90.59 -45.81 4.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 31' ' ' ILE . . . -62.28 -4.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.734 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' CD1' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -36.75 -35.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' LEU . 95.9 mt -53.35 -81.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' CA ' HG22 ' A' ' 36' ' ' VAL . . . 40.67 -94.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.56 -23.3 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.406 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.431 ' C ' ' N ' ' A' ' 37' ' ' GLY . 1.3 mtt -87.75 -12.3 45.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.445 HG22 ' CA ' ' A' ' 33' ' ' GLY . 89.8 t -49.36 -21.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 172.74 36.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.54 -111.32 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 40' ' ' VAL . 61.7 t -62.99 -13.45 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -31.71 137.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -47.05 165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 6' ' ' HIS . . . 64.28 105.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.58 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 mt-10 -123.19 -2.0 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 165.76 -49.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -58.6 -42.32 87.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -93.38 -48.0 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.379 1.049 . . . . 0.0 109.502 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 23.9 t70 -40.17 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -39.42 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.929 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -48.13 -21.51 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.25 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 111.022 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.701 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 2.6 tt0 -41.09 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 13' ' ' HIS . 1.3 p -46.95 -24.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -80.76 -51.59 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -38.48 -38.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.553 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.983 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 6.2 tp-100 -74.24 -5.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.843 ' N ' ' O ' ' A' ' 13' ' ' HIS . 4.2 tppt? -75.21 -53.55 8.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' ' C ' ' A' ' 18' ' ' VAL . 1.5 tt -61.53 -54.89 37.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.983 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.52 -53.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 4.1 m-30 -53.76 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.6 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -49.01 -43.0 39.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -75.01 -40.25 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.11 -19.37 64.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t70 -91.84 -42.33 10.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 9.1 p -75.18 100.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.48 29.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.1 t 51.98 19.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 29' ' ' GLY . 28.9 t-20 175.93 -95.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 6.5 mmmt 71.44 -46.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 27' ' ' ASN . . . -38.11 -59.75 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.565 1.166 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . . . -130.82 -4.75 4.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER 61.38 10.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 30' ' ' ALA . 11.6 mm -38.42 -31.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.494 ' HA2' ' CG2' ' A' ' 36' ' ' VAL . . . -48.26 -22.8 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.573 1.171 . . . . 0.0 111.048 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -65.09 -28.32 69.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.44 -15.83 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.494 ' CG2' ' HA2' ' A' ' 33' ' ' GLY . 89.9 t -63.94 -11.13 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.24 35.31 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.68 -111.46 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' VAL . 93.1 t -62.76 -13.71 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 53.91 171.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.563 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 1.1 tt 39.1 -162.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.563 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.661 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . . . -138.58 -159.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.655 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 3.4 tt0 100.58 -10.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.661 ' CZ ' ' HA ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -30.62 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -37.59 -39.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.469 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 2.1 t60 -81.62 -72.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.2 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.1 t -58.77 -24.87 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 13' ' ' HIS . . . -63.14 -9.39 28.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.3 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 0.727 . . . . 0.0 111.069 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 19.9 pt-20 -45.19 -55.46 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -65.17 -20.7 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.755 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -84.41 -55.51 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.747 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 t-160 -42.77 -33.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.423 1.077 . . . . 0.0 109.653 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.859 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -87.1 -10.49 52.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.755 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -47.3 -66.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -6.51 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.859 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -98.95 -10.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -111.1 -3.03 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -33.25 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -98.41 -38.99 9.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -77.96 0.6 23.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -112.75 -42.92 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 7.4 p -60.12 -58.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.415 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -91.49 6.55 80.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.1 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -148.84 44.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -82.93 -78.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.399 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 8.3 mmtm -139.44 -50.97 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.386 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.38 -72.53 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.4 -12.76 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -50.07 -23.6 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.212 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' LEU . 8.0 mt -87.16 173.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' MET . . . 67.36 -58.82 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -37.26 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.704 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.8 mtp -82.97 -50.88 8.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 66.14 -22.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.223 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.704 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 161.92 -42.01 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.563 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -147.33 10.71 1.32 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.563 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 1.4 t 74.43 -20.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.199 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.56 ' H ' ' C ' ' A' ' 38' ' ' GLY . 1.3 t 40.95 92.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 41' ' ' ILE . 14.4 mm -79.64 2.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.973 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.92 29.19 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -115.71 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 3' ' ' GLU . 39.8 m-85 -162.14 -41.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -18.56 61.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -50.03 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.582 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -53.8 -41.46 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.542 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 30.9 t -59.24 -30.28 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.068 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.12 -9.97 13.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.127 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.82 -62.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.5 pt-20 -45.91 -54.58 7.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.542 ' CG1' ' O ' ' A' ' 8' ' ' SER . 10.0 p -63.29 -21.77 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.932 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.72 -70.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.535 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.869 ' O ' HG21 ' A' ' 18' ' ' VAL . 9.7 t-160 -23.99 -60.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.6 -8.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.235 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.932 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.15 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -149.74 -27.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.869 HG21 ' O ' ' A' ' 14' ' ' HIS . 1.2 t -28.86 -74.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.93 -29.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.732 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -80.21 -69.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.668 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -62.98 -56.86 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.08 -38.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -51.81 33.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.668 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.8 m -77.13 136.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . 87.43 -40.74 3.08 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -36.84 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 2.1 m-20 158.31 121.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -37.94 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.916 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -41.91 -33.49 1.16 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.431 1.082 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -59.56 -5.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 0.706 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.569 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.9 mp -121.71 6.56 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.401 1.063 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -141.91 -160.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . 37.75 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ILE . 1.1 tp -48.72 -24.45 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' GLY . 1.5 mtt -99.18 -21.57 16.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.452 ' CG2' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -55.44 -15.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.25 -36.95 58.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.992 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -178.09 -105.15 0.19 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.8 t 49.16 -25.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.992 ' N ' ' O ' ' A' ' 38' ' ' GLY . 53.3 t -32.95 -83.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mt -52.24 166.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.364 -179.971 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.45 75.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -144.65 -70.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.622 1.201 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' C ' ' H ' ' A' ' 6' ' ' HIS . 94.6 m-85 -41.93 -69.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 74.85 -36.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -121.7 -20.12 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.4 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 29.5 t -94.04 -50.22 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.927 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -43.21 -22.2 0.18 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.86 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 111.011 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 7.4 tt0 -43.85 -66.22 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 8' ' ' SER . 12.2 p -52.51 -20.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.912 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.25 -72.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.911 ' O ' HG22 ' A' ' 18' ' ' VAL . 9.8 t-160 -22.45 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -47.44 -9.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.912 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.82 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -149.78 -23.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 14' ' ' HIS . 1.6 t -32.85 -73.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.71 -22.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -89.71 -65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 110.958 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -64.47 -32.37 73.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -74.32 -20.21 60.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 26' ' ' SER . 4.8 m-20 -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.543 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 3.8 p -53.1 -61.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.213 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -62.27 -20.81 61.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.395 1.059 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -49.26 -61.48 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 26' ' ' SER . 61.7 t30 71.74 -52.39 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 11.9 mmtt -40.27 -60.64 1.03 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -64.18 -34.41 89.85 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.03 -0.97 4.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.241 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.2 mt -108.5 -14.96 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER 68.95 -64.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 32' ' ' ILE . . . 23.3 -134.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.56 1.162 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.09 11.01 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.223 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.563 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 63.99 14.01 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 38.6 t -51.58 -22.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' CA ' ' HB3' ' A' ' 28' ' ' LYS . . . -73.24 -1.73 57.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . -115.74 -65.43 0.39 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.566 ' O ' ' C ' ' A' ' 40' ' ' VAL . 59.5 t -49.46 -11.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 39' ' ' VAL . 39.1 t -25.78 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' VAL . 1.1 mp -58.78 157.09 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.991 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 175.41 122.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.03 -44.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 110.232 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' C ' ' N ' ' A' ' 6' ' ' HIS . 8.4 m-85 -94.11 -62.22 1.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 47.23 16.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 4' ' ' PHE . 3.9 t60 -131.22 -63.8 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -82.47 -49.14 10.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.461 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -64.59 -19.17 65.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.043 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.31 -2.27 47.55 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.683 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.41 -60.22 1.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 0.711 . . . . 0.0 111.081 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.683 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 28.0 tt0 -53.4 -72.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.496 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 1.6 p -49.34 -24.0 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.726 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -82.09 -48.74 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.666 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.644 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -43.33 -39.18 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.635 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.825 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.44 -3.25 55.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.726 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.42 -48.78 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.61 -22.13 63.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.825 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.17 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.7 m-85 -51.79 -55.74 18.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.56 -41.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.511 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -92.35 -28.98 16.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.3 mm-40 -79.84 4.29 17.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -117.42 -48.36 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.511 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 6.3 p -53.65 -59.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -83.34 -3.83 89.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -134.4 48.11 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.751 . . . . 0.0 109.983 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -106.74 -81.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.836 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -119.14 -107.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -36.15 -34.62 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -71.51 -2.29 16.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.836 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -88.26 -35.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.0 -43.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' C ' ' N ' ' A' ' 35' ' ' MET . . . -52.71 -31.41 37.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -39.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.641 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -80.4 -53.2 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t 66.11 -13.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.641 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 119.09 34.26 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.563 1.164 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.89 -107.53 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 40' ' ' VAL . 78.1 t -59.04 -14.28 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 54.22 170.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.435 ' N ' HG12 ' A' ' 40' ' ' VAL . 15.4 mm -61.65 167.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 -136.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.59 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -138.13 10.88 2.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.417 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 70.11 -30.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.59 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -44.48 -40.84 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.486 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 t-160 -96.59 -54.9 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.768 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -40.55 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.19 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 7' ' ' ASP . 28.1 t -23.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.977 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -41.03 -25.43 0.12 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.14 -139.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 0.812 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.663 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 30.96 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.375 1.047 . . . . 0.0 110.331 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.642 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -43.63 -36.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.884 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.2 -68.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.661 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.573 ' O ' HG21 ' A' ' 18' ' ' VAL . 1.4 t-160 -39.3 -29.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.495 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.793 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 2.5 tp60 -87.79 -6.22 58.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.884 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -98.24 -32.35 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -87.67 -11.9 47.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.793 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -47.05 -62.33 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.95 2.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.486 ' HB3' ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -107.55 -43.03 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.925 -179.885 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -95.37 -37.76 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -74.95 -2.36 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.29 -50.04 3.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.553 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 3.9 p -53.63 -64.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' H ' ' CG1' ' A' ' 24' ' ' VAL . . . -62.93 -19.75 61.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.586 1.178 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.01 -3.74 27.99 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 0.831 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.53 -70.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -46.97 -51.01 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -66.28 -33.07 83.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.53 -4.16 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 0.0 109.227 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.434 ' H ' ' C ' ' A' ' 29' ' ' GLY . 47.9 mm -80.25 -22.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -110.91 -77.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' MET . . . 34.81 -104.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -37.35 -32.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.693 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.6 mtp -85.25 -50.97 6.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.414 ' N ' HG21 ' A' ' 32' ' ' ILE . 1.6 t 65.06 -15.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.693 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 162.32 -49.16 0.33 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.429 1.081 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -146.74 10.64 1.44 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 1.1 t 78.46 -26.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.511 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -32.85 124.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.185 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 26.3 mm -53.16 167.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.372 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 5.8 p-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' ASP . . . 83.25 112.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -168.57 -42.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.634 1.209 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' SER . 75.6 m-85 -48.98 -31.97 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.498 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 6.1 ptt-85 -64.85 -41.58 95.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.498 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -79.84 -41.66 25.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.625 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.682 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -83.97 7.09 19.49 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' ' C ' ' A' ' 9' ' ' GLY . 31.1 t -44.71 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -5.67 -104.76 0.0 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.759 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -30.69 -70.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 111.052 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.682 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 3.7 tp10 -27.34 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 9' ' ' GLY . 2.8 p -38.75 -44.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -59.6 -71.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.639 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.798 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.4 t-160 -28.63 -54.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.615 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.92 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.777 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -21.4 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -130.68 -37.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.798 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -33.35 -64.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -43.77 -24.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.718 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.19 -68.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.669 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -65.64 -49.94 66.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 18' ' ' VAL . 7.3 tp10 -42.52 -35.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -50.19 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.669 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.1 m -78.15 141.06 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.65 -44.05 3.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -86.03 -78.72 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.449 0.734 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER 163.04 -87.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' HB ' ' A' ' 31' ' ' ILE . 12.1 mmmt 70.14 -49.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' ASN . . . -71.79 -45.42 43.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.486 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . . . -76.37 8.31 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' GLY . 1.7 mt -39.14 -36.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' LEU . 24.6 mt 56.28 -85.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' ILE . . . 31.42 -93.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -37.23 -32.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.717 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -77.75 -49.0 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 65.02 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.617 1.198 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.717 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 164.93 -47.51 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -147.9 10.52 1.21 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER 80.47 -28.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.398 0.705 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 40' ' ' VAL . 1.7 t 37.23 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 14.0 mt -56.49 167.51 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.37 77.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -175.02 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 5' ' ' ARG . 3.4 m-85 -60.13 -32.82 71.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -35.03 -46.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 97.74 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 11' ' ' GLU . 29.9 m-20 -177.93 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -4.63 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.612 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -88.13 5.85 84.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -173.37 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 110.992 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' ASP . 15.4 tt0 -37.44 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.95 -30.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.976 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -76.11 -69.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.654 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.5 t-160 -27.83 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.682 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -7.48 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.976 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.07 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -122.31 -49.63 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.917 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.682 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -34.07 -38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.3 t80 -59.07 -57.27 13.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.589 1.181 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.01 -46.53 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -77.8 -32.85 52.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.83 -36.33 67.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.57 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -56.76 -74.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -36.44 -31.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -132.11 63.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 2.1 t-20 -39.22 -46.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.614 ' C ' ' H ' ' A' ' 30' ' ' ALA . 5.5 mttp -152.97 89.42 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 68.03 -32.96 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.614 ' H ' ' C ' ' A' ' 28' ' ' LYS . . . 154.54 13.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.364 0.685 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -34.8 -33.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -101.86 141.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' CG2' ' A' ' 36' ' ' VAL . . . -134.8 -104.67 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -19.61 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.417 ' C ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -89.33 -12.06 41.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 1.054 . . . . 0.0 111.029 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 33' ' ' GLY . 91.8 t -49.69 -20.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -176.42 33.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.62 -111.16 3.19 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' VAL . 55.1 t -76.27 -13.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 52.21 176.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.398 1.062 . . . . 0.0 109.364 -179.932 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.463 ' CD1' ' N ' ' A' ' 41' ' ' ILE . 1.8 mm -61.79 156.89 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -180.0 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.47 99.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.61 1.194 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -138.62 11.44 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.213 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 70.4 -30.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.927 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.583 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -83.65 -20.33 33.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.634 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 1.1 t60 -101.06 -52.24 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.646 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -36.53 -29.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -58.58 151.32 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.019 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.27 -31.05 8.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -133.35 -40.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 19.3 tt0 -46.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -45.14 -30.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.183 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.4 m170 -70.21 -70.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.599 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.9 t-160 -38.83 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.062 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.754 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 6.0 tp60 -91.35 -8.79 47.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.92 -34.61 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' N ' ' CE ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -82.31 -21.05 36.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.754 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.65 -47.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -53.69 -29.94 41.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.46 -41.62 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' VAL . . . -74.61 -66.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.56 -36.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -70.49 -51.45 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.7 p -77.5 134.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . 88.59 -40.27 3.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -36.57 -32.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 0.688 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.6 m120 -62.78 -91.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 2.9 mmtt -121.35 -34.69 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 77.61 6.81 87.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.618 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 92.9 17.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 0.723 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ALA . 3.4 mt -25.91 -50.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG1' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -130.37 159.59 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' C ' ' N ' ' A' ' 35' ' ' MET . . . -139.5 -118.45 1.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -28.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.488 0.758 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.699 ' C ' ' H ' ' A' ' 37' ' ' GLY . 4.8 mtm -78.3 -53.54 7.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 t 65.5 -16.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.699 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 161.84 -48.5 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.511 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -145.47 8.43 1.61 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 78.73 -25.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 38' ' ' GLY . 51.9 t -32.91 -86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 2.6 mp -55.5 167.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.52 117.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.651 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -129.89 0.86 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 8' ' ' SER . 3.5 m-30 63.78 -16.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.651 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -58.57 -29.49 66.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.375 1.047 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.432 ' CE1' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -76.87 -93.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.625 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -133.48 -5.05 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 4.8 t -80.2 5.92 13.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.672 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -110.24 16.11 29.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.12 -55.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.607 0.827 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.2 tt0 -30.5 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -46.4 -39.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.929 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -64.87 -71.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.594 ' O ' HG21 ' A' ' 18' ' ' VAL . 1.9 t-160 -31.39 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.8 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -68.07 -4.42 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.929 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -98.45 -31.41 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -94.0 3.7 54.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.8 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -59.98 -84.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CZ ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -38.6 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 111.028 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD2' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -68.95 -60.03 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 111.056 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -79.82 -29.72 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.45 -15.26 63.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 19' ' ' PHE . 2.4 m-20 -99.05 -56.17 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 9.6 p -58.3 93.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.07 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 27' ' ' ASN . . . 38.31 29.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.0 OUTLIER 50.45 20.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 33.9 t-20 -173.02 -100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 3.6 mmmt 61.46 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.72 -49.05 0.88 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.51 0.58 10.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.421 HG13 ' ND2' ' A' ' 27' ' ' ASN . 1.3 mp -75.32 -40.36 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' LEU . 8.1 mt -134.15 -79.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.187 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 36' ' ' VAL . . . 41.5 -95.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -54.39 -20.34 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 0.0 109.335 179.902 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.457 ' C ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -92.67 -10.61 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 33' ' ' GLY . 75.2 t -45.35 -23.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 173.48 36.21 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.568 1.168 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.11 -111.15 2.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 40' ' ' VAL . 57.1 t -62.55 -13.6 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 0.747 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -32.16 138.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -42.91 160.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.4 t -57.22 156.71 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.59 -26.92 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -138.35 -44.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tt0 -45.93 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.18 -26.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.869 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -79.73 -72.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.918 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.1 t-80 -18.98 -58.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.562 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -42.05 -17.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.869 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -26.41 -49.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -128.05 -31.16 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 14' ' ' HIS . 0.9 OUTLIER -30.78 -61.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.214 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -41.66 -22.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 111.042 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.761 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -98.1 -68.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.739 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -59.96 -26.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.648 ' N ' ' O ' ' A' ' 18' ' ' VAL . 5.4 tm-20 -73.35 -38.19 65.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 109.278 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 21' ' ' ALA . 4.2 p -85.02 125.18 40.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.22 -41.61 3.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.045 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 1.018 ' O ' HG12 ' A' ' 12' ' ' VAL . 36.2 t -44.75 -47.76 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.48 -25.87 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.716 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.52 -61.67 1.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.577 0.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.716 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 8.4 tt0 -43.6 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 8' ' ' SER . 12.4 p -51.8 -21.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.838 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.41 -66.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.531 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 1.005 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -22.43 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 109.61 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.718 ' NE2' ' CB ' ' A' ' 19' ' ' PHE . 1.8 tt0 -44.48 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.838 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -29.1 -48.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.2 mt -141.41 -18.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 14' ' ' HIS . 40.5 t -45.86 -66.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.718 ' CB ' ' NE2' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -46.16 -16.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.548 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -99.79 -70.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -57.01 -23.41 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tm-20 -79.48 -32.22 42.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -30.37 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.78 -65.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -32.21 -35.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' VAL . 26.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.551 0.795 . . . . 0.0 110.06 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 1.023 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -45.1 -49.45 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.942 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -39.8 -25.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -98.19 -60.84 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -43.72 -66.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.023 HG12 ' O ' ' A' ' 8' ' ' SER . 8.8 p -53.43 -20.37 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.231 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.64 -72.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 1.04 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -23.5 -58.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.385 1.053 . . . . 0.0 109.563 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.46 -9.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.96 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -154.3 -15.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 14' ' ' HIS . 21.5 t -40.69 -69.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -48.72 -16.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -94.7 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -66.1 -27.83 68.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.611 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.8 tm-20 -79.67 -19.93 47.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 26' ' ' SER . 0.4 OUTLIER -87.93 -42.46 12.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG13 ' H ' ' A' ' 25' ' ' GLY . 7.7 p -63.4 -60.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.633 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -71.9 -7.18 65.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -34.24 68.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -53.18 -16.88 4.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.598 1.186 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.721 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.61 -61.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.618 0.834 . . . . 0.0 111.067 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.721 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 38.4 tt0 -42.48 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' CE ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -45.44 -30.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.24 -52.14 17.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.537 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.896 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -46.14 -33.64 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.806 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -89.45 -4.59 57.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.703 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.69 -46.4 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -81.15 -9.94 59.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -45.04 -62.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.703 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.34 0.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.528 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -108.46 -45.53 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -94.06 -35.85 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.397 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.63 -2.02 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.13 -49.46 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.384 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG13 ' H ' ' A' ' 25' ' ' GLY . 5.1 p -52.55 -62.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.687 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -71.3 -14.23 74.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 5.3 t -46.91 -48.86 21.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -39.66 -26.62 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -96.03 -61.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.98 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 tt0 -40.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.38 -22.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.903 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -83.77 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.8 t-160 -20.92 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.74 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.81 -17.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.903 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.3 tppt? -36.9 -53.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -104.32 -53.93 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -24.5 -43.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.226 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.625 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.22 -60.31 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.93 ' O ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -43.75 -48.27 8.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' HG22 ' A' ' 24' ' ' VAL . . . -74.59 -41.49 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.25 -31.82 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.8 -32.25 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.93 HG13 ' O ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -84.38 120.83 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.19 -48.68 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.966 ' O ' HG12 ' A' ' 12' ' ' VAL . 5.9 t -41.36 -51.23 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.12 -25.55 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.8 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.727 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -44.31 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 8' ' ' SER . 7.2 p -45.31 -28.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.875 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -73.05 -72.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.621 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.871 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -27.3 -55.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.602 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -49.74 -9.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.91 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -150.63 -30.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.871 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -28.51 -73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.212 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -24.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.789 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.19 -69.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -60.0 -43.4 95.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 18' ' ' VAL . 11.2 tp10 -54.46 -30.63 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 6.3 t0 -80.53 -47.25 14.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -91.46 -77.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.9 -31.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -149.01 -50.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.953 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.557 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -80.82 27.47 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -175.49 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 7' ' ' ASP . 2.7 tt0 -56.25 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.3 p -49.61 -23.69 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 109.387 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.817 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -78.31 -72.47 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.689 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.689 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.2 t-160 -31.19 -51.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.553 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.792 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -49.27 -20.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.817 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.2 tppt? -24.5 -53.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -110.86 -55.14 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -26.92 -46.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.4 t80 -54.65 -58.94 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -43.97 -40.36 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -86.14 -28.92 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.16 -10.25 59.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.6 t0 -101.9 -46.07 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 21' ' ' ALA . 13.5 p -57.8 85.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 32.64 33.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 24' ' ' VAL . 2.6 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.545 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER 69.91 -46.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.872 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.69 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -79.72 18.38 7.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.791 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.6 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 15.7 pt-20 -37.56 -53.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.358 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 8.8 p -66.27 -40.02 85.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -64.82 -67.29 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.967 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -33.61 -50.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.675 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.642 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -47.72 -19.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.715 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.7 tppt? -24.82 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -139.46 -20.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 14' ' ' HIS . 24.9 t -47.32 -64.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -15.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -100.06 -70.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.909 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -59.38 -20.04 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.208 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.599 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 9.3 tm-20 -82.44 -27.81 31.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.19 -31.84 30.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.3 -55.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -84.43 28.24 4.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.478 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.3 t -71.42 7.84 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.618 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.84 6.62 52.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.607 1.192 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.737 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.16 -35.59 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.5 pt-20 -35.08 -53.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 7.3 p -67.15 -38.43 81.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.878 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -72.82 -62.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.508 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.729 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.4 t-160 -25.01 -56.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.739 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.64 -17.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.878 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.2 tppt? -37.78 -53.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 19' ' ' PHE . 2.4 tt -103.54 -55.27 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.58 -45.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -52.68 -59.02 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -44.85 -51.84 9.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.86 -32.95 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -60.89 -29.52 69.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.76 -45.9 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.49 -76.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -36.97 -29.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.44 151.75 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.066 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.66 -11.93 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -117.2 -57.29 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.705 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 3.9 tt0 -59.71 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -57.55 -22.26 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.78 -69.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.9 t-160 -21.83 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.559 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.749 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.76 -17.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.8 tppt? -37.05 -54.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.3 tt -104.14 -55.09 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.749 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.37 -44.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -51.84 -59.16 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -46.1 -47.91 17.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 111.077 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.716 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -75.46 -29.51 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.6 tm-20 -67.7 -26.79 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.222 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -82.49 -8.43 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.214 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -120.18 -76.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -49.49 -21.14 2.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.387 0.698 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 11' ' ' GLU . 2.6 t -70.4 6.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.624 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.56 7.36 53.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.738 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -174.96 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.59 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.1 pt-20 -37.68 -53.58 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.59 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 13.1 p -66.12 -35.92 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.945 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -74.16 -64.16 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -31.3 -47.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.54 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.941 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.26 -7.71 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.945 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -25.39 -45.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.661 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -121.08 -49.83 2.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -33.5 -38.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD2' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t80 -59.03 -57.97 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -45.06 -39.41 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.819 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -86.25 -28.32 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -70.51 -26.47 63.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -25.08 24.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.819 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -97.0 120.56 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.36 -35.2 3.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.528 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 26.4 t -51.08 -26.45 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.97 -10.48 33.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.386 1.053 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.707 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -106.04 -61.75 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.499 0.764 . . . . 0.0 111.056 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.707 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.4 pp20? -43.5 -55.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -64.63 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -73.66 -51.49 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.869 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -46.27 -34.0 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.787 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 1.1 tp60 -91.4 -3.78 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.5 tppt? -100.32 -45.78 5.48 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 ' HB3' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.38 -15.48 57.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -44.62 -56.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 3.2 m-85 -58.28 -10.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.739 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -104.49 -44.67 4.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -80.41 -50.73 9.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.499 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 1.2 tp10 -58.08 -21.19 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.0 t70 -87.32 -23.74 24.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 21' ' ' ALA . 1.9 p -108.0 118.79 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.18 4.98 39.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.939 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' GLY . 1.9 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.1 t 47.05 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -34.54 -29.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.75 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -83.26 -61.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 111.042 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.75 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.4 pt-20 -46.67 -52.05 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.554 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 4.0 p -64.69 -20.58 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.17 -68.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.503 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.5 t-160 -22.44 -55.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.728 ' CA ' HG23 ' A' ' 18' ' ' VAL . 1.6 tp-100 -45.97 -17.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.2 tppt? -36.96 -54.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -103.79 -54.04 2.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.74 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.16 -43.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.6 -59.63 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -45.57 -38.48 6.53 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -85.31 -32.2 22.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.173 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -75.88 -8.65 57.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t0 -101.06 -50.98 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.681 HG13 ' H ' ' A' ' 25' ' ' GLY . 4.7 p -51.35 -61.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.681 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -68.52 -16.07 69.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.763 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 1.9 t -53.91 127.17 25.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.7 -7.42 15.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.081 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -163.83 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 0.6 OUTLIER -61.28 -65.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.79 -25.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.891 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.54 -69.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.697 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 1.016 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -25.13 -57.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.4 -9.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.25 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -154.65 -14.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.016 HG23 ' O ' ' A' ' 14' ' ' HIS . 21.6 t -40.38 -72.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.85 -19.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -95.1 -70.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' LEU . . . -58.81 -29.72 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.5 tm-20 -70.54 -31.04 67.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.594 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -78.69 -40.78 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.333 1.02 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -94.41 -72.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.39 -31.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.097 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.923 ' O ' HG12 ' A' ' 12' ' ' VAL . 11.8 t -46.32 -46.88 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -41.85 -24.2 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.711 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.21 -61.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 111.052 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.711 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 3.3 tt0 -42.18 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 8' ' ' SER . 10.9 p -51.71 -22.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.57 -69.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.2 t-160 -21.08 -55.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.734 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.61 -16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.4 tppt? -41.45 -53.73 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.973 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -101.09 -55.73 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.752 HG12 ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -22.48 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -43.15 -46.58 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -86.0 -41.94 14.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.732 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -77.65 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.752 ' CG ' HG12 ' A' ' 18' ' ' VAL . 2.8 tm-20 -35.05 -40.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -60.13 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.4 p -65.14 126.87 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.08 -45.05 3.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.063 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -69.59 0.56 5.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.655 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -95.88 7.81 67.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.661 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -175.78 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.606 0.827 . . . . 0.0 111.01 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' ASP . 2.6 tt0 -39.81 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.5 p -45.16 -26.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.827 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -75.87 -75.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.761 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.0 t-160 -29.4 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.635 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.842 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.6 -17.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.827 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.62 -45.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.594 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -122.36 -50.07 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -28.21 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -55.24 -58.96 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.661 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -44.06 -47.11 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -77.43 -34.5 54.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.44 -33.31 63.48 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -65.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -48.75 -71.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -33.24 -37.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' VAL . 2.6 m . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.608 0.828 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.653 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.66 122.4 14.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.8 -5.0 9.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -164.34 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 4.1 tt0 -58.24 -67.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -53.98 -27.77 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.905 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -78.73 -68.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.724 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.3 t-160 -21.5 -56.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.741 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.49 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.905 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -38.14 -53.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.6 tt -103.89 -55.1 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.741 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.33 -45.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.9 t80 -52.2 -59.4 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.09 -50.3 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 111.049 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -73.33 -34.35 65.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.05 -25.39 63.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -46.17 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.89 -74.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -39.76 -26.75 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 1.038 ' O ' HG12 ' A' ' 12' ' ' VAL . 14.5 t -49.59 -41.47 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -46.16 -21.2 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -100.04 -62.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 11.7 tt0 -44.51 -65.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.038 HG12 ' O ' ' A' ' 8' ' ' SER . 11.0 p -52.97 -20.74 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.853 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -86.95 -67.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.636 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 1.046 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -22.78 -53.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.8 -17.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.212 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.853 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.6 tppt? -35.49 -52.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.881 ' CD1' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -132.62 -17.8 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 14' ' ' HIS . 18.3 t -55.59 -11.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -108.36 0.87 21.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.599 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -126.92 -42.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.881 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -88.89 -9.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 4.0 tm-20 -97.72 -25.99 14.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -5.55 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.75 -102.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.71 -26.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.6 t -68.71 1.11 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.628 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -96.23 6.1 65.91 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -174.28 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 0.69 . . . . 0.0 111.042 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 7' ' ' ASP . 13.2 tt0 -34.62 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -47.66 -35.11 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.842 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.69 -68.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.772 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 t-160 -20.42 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.661 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.796 ' CA ' HG23 ' A' ' 18' ' ' VAL . 2.1 tp-100 -41.71 -20.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.842 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -32.62 -57.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -105.58 -53.29 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.796 HG23 ' CA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -24.08 -43.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.649 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.17 -59.28 4.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.671 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.65 -47.64 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -76.47 -30.24 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -59.92 -36.18 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.5 OUTLIER -69.67 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -57.22 -60.45 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.02 -27.87 15.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 2.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.477 ' O ' ' CG ' ' A' ' 7' ' ' ASP . 11.7 p-10 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 t -154.96 -48.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.97 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.539 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -81.81 25.8 3.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -173.18 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.74 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 ' CE ' ' A' ' 16' ' ' LYS . 1.8 p -47.47 -33.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.734 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -71.01 -55.12 8.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.646 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 t-160 -41.9 -38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.809 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -91.09 -1.58 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.734 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -99.24 -50.08 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.79 -12.03 57.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.809 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.15 -77.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.226 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -41.98 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.649 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.44 -65.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -70.52 -34.91 72.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 tp10 -57.27 -25.41 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -86.82 -63.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -61.55 -67.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -56.59 -15.52 12.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 23.9 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.408 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -44.86 -39.42 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.929 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -48.13 -21.51 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.25 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 111.022 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.701 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 2.6 tt0 -41.09 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 8' ' ' SER . 1.3 p -46.95 -24.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -80.76 -51.59 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.691 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.48 -38.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.553 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 1.003 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 44.4 tp60 -74.24 -5.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.843 ' N ' ' O ' ' A' ' 13' ' ' HIS . 4.2 tppt? -75.21 -53.55 8.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' ' C ' ' A' ' 18' ' ' VAL . 1.5 tt -61.53 -54.89 37.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.003 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.52 -53.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 4.1 m-30 -53.76 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.6 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -49.01 -43.0 39.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.778 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -75.01 -40.25 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.11 -19.37 64.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t70 -91.84 -42.33 10.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' ' 21' ' ' ALA . 9.1 p -75.18 100.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.48 29.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.477 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 32.1 t -58.77 -24.87 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 13' ' ' HIS . . . -63.14 -9.39 28.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.3 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 0.727 . . . . 0.0 111.069 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 19.9 pt-20 -45.19 -55.46 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -65.17 -20.7 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.755 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -84.41 -55.51 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.931 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.747 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 t-160 -42.77 -33.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.423 1.077 . . . . 0.0 109.653 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.855 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -87.1 -10.49 52.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.755 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -47.3 -66.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -6.51 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.855 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -98.95 -10.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -111.1 -3.03 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -33.25 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.613 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -98.41 -38.99 9.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -77.96 0.6 23.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -112.75 -42.92 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 21' ' ' ALA . 7.4 p -60.12 -58.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.569 ' N ' HG13 ' A' ' 24' ' ' VAL . . . -91.49 6.55 80.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.1 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' SER . . . . . 1.015 ' O ' HG12 ' A' ' 12' ' ' VAL . 30.9 t -59.24 -30.28 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.068 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -60.12 -9.97 13.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.127 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.82 -62.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.5 pt-20 -45.91 -54.58 7.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.015 HG12 ' O ' ' A' ' 8' ' ' SER . 10.0 p -63.29 -21.77 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.932 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.72 -70.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.535 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -23.99 -60.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.6 -8.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.235 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.932 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.15 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -149.74 -27.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.2 t -28.86 -74.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.93 -29.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.732 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -80.21 -69.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.671 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -62.98 -56.86 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.08 -38.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -51.81 33.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.671 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.8 m -77.13 136.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . . . 87.43 -40.74 3.08 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' SER . . . . . 1.035 ' O ' HG12 ' A' ' 12' ' ' VAL . 29.5 t -94.04 -50.22 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.927 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -43.21 -22.2 0.18 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.86 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 111.011 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 7.4 tt0 -43.85 -66.22 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 8' ' ' SER . 12.2 p -52.51 -20.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.912 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.25 -72.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.911 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -22.45 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.553 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -47.44 -9.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.912 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.82 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -149.78 -23.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.6 t -32.85 -73.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.71 -22.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -89.71 -65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 110.958 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -64.47 -32.37 73.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -74.32 -20.21 60.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.8 m-20 -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG13 ' H ' ' A' ' 25' ' ' GLY . 3.8 p -53.1 -61.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.213 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.648 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -62.27 -20.81 61.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.395 1.059 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.0 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.931 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -64.59 -19.17 65.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.043 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.31 -2.27 47.55 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.683 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.41 -60.22 1.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 0.711 . . . . 0.0 111.081 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.683 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 28.0 tt0 -53.4 -72.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.931 HG12 ' O ' ' A' ' 8' ' ' SER . 1.6 p -49.34 -24.0 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.726 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -82.09 -48.74 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.666 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.644 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -43.33 -39.18 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.635 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.825 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.44 -3.25 55.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.726 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.42 -48.78 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.61 -22.13 63.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.825 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.17 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.7 m-85 -51.79 -55.74 18.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.56 -41.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.661 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -92.35 -28.98 16.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.3 mm-40 -79.84 4.29 17.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -117.42 -48.36 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 21' ' ' ALA . 6.3 p -53.65 -59.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.624 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -83.34 -3.83 89.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.751 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.768 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 7' ' ' ASP . 28.1 t -23.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.977 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -41.03 -25.43 0.12 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.14 -139.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 0.812 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.663 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 30.96 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.375 1.047 . . . . 0.0 110.331 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.642 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -43.63 -36.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.884 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.2 -68.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.661 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.4 t-160 -39.3 -29.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.495 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.793 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 2.5 tp60 -87.79 -6.22 58.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 1.133 ' HZ1' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -98.24 -32.35 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.133 HD12 ' HZ1' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -87.67 -11.9 47.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.793 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -47.05 -62.33 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.95 2.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 1.03 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -107.55 -43.03 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.925 -179.885 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.601 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -95.37 -37.76 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -74.95 -2.36 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.29 -50.04 3.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 25' ' ' GLY . 3.9 p -53.63 -64.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.727 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -62.93 -19.75 61.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.586 1.178 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.613 0.831 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' ' C ' ' A' ' 9' ' ' GLY . 31.1 t -44.71 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -5.67 -104.76 0.0 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.759 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -30.69 -70.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 111.052 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 3.7 tp10 -27.34 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 9' ' ' GLY . 2.8 p -38.75 -44.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -59.6 -71.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.639 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.798 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.3 t-80 -28.63 -54.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.615 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -43.92 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.777 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -21.4 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -130.68 -37.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.798 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -33.35 -64.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -43.77 -24.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.718 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.19 -68.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.68 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -65.64 -49.94 66.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 18' ' ' VAL . 7.3 tp10 -42.52 -35.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -50.19 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.68 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.1 m -78.15 141.06 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.65 -44.05 3.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.449 0.734 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 11' ' ' GLU . 29.9 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -4.63 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.612 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -88.13 5.85 84.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.666 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -173.37 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 110.992 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' ASP . 15.4 tt0 -37.44 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.95 -30.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.976 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -76.11 -69.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.666 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -27.83 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.624 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.964 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -7.48 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.976 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.07 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -122.31 -49.63 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.917 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.964 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -34.07 -38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.624 ' CD2' ' HG2' ' A' ' 15' ' ' GLN . 1.3 t80 -59.07 -57.27 13.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.589 1.181 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.01 -46.53 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -77.8 -32.85 52.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.83 -36.33 67.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.57 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -56.76 -74.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -36.44 -31.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.646 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.58 151.32 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.019 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.27 -31.05 8.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -133.35 -40.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 19.3 tt0 -46.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -45.14 -30.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.183 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -70.21 -70.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.624 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t-160 -38.83 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.062 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.754 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 6.0 tp60 -91.35 -8.79 47.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.92 -34.61 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' CB ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -82.31 -21.05 36.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.754 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.65 -47.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -53.69 -29.94 41.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CB ' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.46 -41.62 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -74.61 -66.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.56 -36.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 t0 -70.49 -51.45 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -77.5 134.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . . . 88.59 -40.27 3.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.369 0.688 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -80.2 5.92 13.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.672 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -110.24 16.11 29.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.802 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.12 -55.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.607 0.827 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.2 tt0 -30.5 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -46.4 -39.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.929 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -64.87 -71.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.591 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.9 t-160 -31.39 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.8 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.07 -4.42 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.929 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -98.45 -31.41 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' CD2' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -94.0 3.7 54.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.8 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -59.98 -84.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CZ ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -38.6 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 111.028 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -68.95 -60.03 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 111.056 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.806 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -79.82 -29.72 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.45 -15.26 63.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.4 m-20 -99.05 -56.17 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' ' 21' ' ' ALA . 9.6 p -58.3 93.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.07 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.31 29.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 6' ' ' HIS . . . -133.84 -138.39 0.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.18 -45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -123.21 -47.56 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -19.27 10.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.637 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 1.5 t-160 -102.11 -71.73 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.63 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -37.04 -28.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 6' ' ' HIS . 25.4 t -57.22 156.71 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.59 -26.92 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -138.35 -44.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tt0 -45.93 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.18 -26.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.869 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -79.73 -72.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.918 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.1 t-80 -18.98 -58.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -42.05 -17.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.869 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -26.41 -49.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -128.05 -31.16 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 14' ' ' HIS . 0.9 OUTLIER -30.78 -61.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.214 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -41.66 -22.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 111.042 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.761 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -98.1 -68.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.739 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -59.96 -26.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.648 ' N ' ' O ' ' A' ' 18' ' ' VAL . 5.4 tm-20 -73.35 -38.19 65.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 21' ' ' ALA . 4.2 p -85.02 125.18 40.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.22 -41.61 3.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -95.56 19.05 11.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.554 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -159.36 -58.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -47.37 -63.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -49.92 -34.74 23.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -62.55 -5.23 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 0.728 . . . . 0.0 109.363 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.442 ' H ' ' C ' ' A' ' 29' ' ' GLY . 43.9 mt -90.99 -24.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.715 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.7 mm -86.25 -176.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.715 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 56.77 -82.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -37.39 -31.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 0.769 . . . . 0.0 109.259 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.665 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -88.98 -48.53 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.931 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 33' ' ' GLY . 2.1 t 65.69 -14.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.665 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 115.65 34.86 1.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.618 1.199 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.41 -108.05 2.98 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 40' ' ' VAL . 53.2 t -55.44 -16.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 47.46 -173.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.74 ' N ' HG13 ' A' ' 40' ' ' VAL . 6.4 mm -42.98 164.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.621 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 24.4 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 78.79 117.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.226 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.588 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.71 11.59 2.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 70.61 -31.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.623 1.202 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 3' ' ' GLU . 3.4 ptm180 -38.86 -40.5 0.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 9.1 t-80 -77.95 -74.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' HIS . 2.1 m-20 -39.74 -60.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.018 ' O ' HG12 ' A' ' 12' ' ' VAL . 36.2 t -44.75 -47.76 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.48 -25.87 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.716 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.52 -61.67 1.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.577 0.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.716 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 8.4 tt0 -43.6 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 8' ' ' SER . 12.4 p -51.8 -21.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.838 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.41 -66.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.531 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 1.005 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -22.43 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 109.61 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.718 ' NE2' ' CB ' ' A' ' 19' ' ' PHE . 1.8 tt0 -44.48 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.838 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -29.1 -48.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.2 mt -141.41 -18.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 14' ' ' HIS . 40.5 t -45.86 -66.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.718 ' CB ' ' NE2' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -46.16 -16.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.548 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -99.79 -70.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -57.01 -23.41 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tm-20 -79.48 -32.22 42.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -30.37 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.78 -65.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -32.21 -35.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.845 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 26.7 m -88.13 -96.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 0.795 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.706 ' H ' HD11 ' A' ' 31' ' ' ILE . 1.7 m-20 172.87 -84.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -146.08 -78.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -49.22 -42.09 31.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 26' ' ' SER . . . -58.81 -7.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.706 HD11 ' H ' ' A' ' 27' ' ' ASN . 2.6 mp -110.73 -16.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.694 HG23 ' HA ' ' A' ' 36' ' ' VAL . 30.5 mt -135.05 -90.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 45.15 -161.44 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mp -40.38 -36.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.662 ' C ' ' H ' ' A' ' 37' ' ' GLY . 1.2 mtt -56.75 -63.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.694 ' HA ' HG23 ' A' ' 32' ' ' ILE . 1.9 t 66.24 -13.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.662 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 158.83 -50.05 0.41 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -143.11 7.52 2.1 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 35' ' ' MET . 0.9 OUTLIER 79.63 -25.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 39' ' ' VAL . 55.5 t -32.9 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -44.65 162.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -128.69 -138.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 80.62 -50.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.8 m-30 -57.86 -29.81 65.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -20.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -63.62 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.29 -33.5 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.023 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -45.1 -49.45 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.942 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -39.8 -25.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -98.19 -60.84 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -43.72 -66.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.023 HG12 ' O ' ' A' ' 8' ' ' SER . 8.8 p -53.43 -20.37 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.231 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.64 -72.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 1.04 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -23.5 -58.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.385 1.053 . . . . 0.0 109.563 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.46 -9.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.96 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -154.3 -15.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 14' ' ' HIS . 21.5 t -40.69 -69.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -48.72 -16.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -94.7 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -66.1 -27.83 68.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.611 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.8 tm-20 -79.67 -19.93 47.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -87.93 -42.46 12.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG13 ' H ' ' A' ' 25' ' ' GLY . 7.7 p -63.4 -60.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.633 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -71.9 -7.18 65.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -50.22 -36.72 32.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -173.59 -72.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.326 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 27' ' ' ASN . 25.3 mtmt -148.79 93.09 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.723 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 55.7 17.28 13.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 89.26 11.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.621 HG22 ' N ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -35.63 -60.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.621 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER 80.83 -52.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.46 ' N ' HG22 ' A' ' 32' ' ' ILE . . . -43.28 -25.09 0.4 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.441 1.088 . . . . 0.0 111.042 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -61.21 -37.45 83.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.602 0.825 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.35 -13.36 43.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.92 -9.27 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.92 22.36 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -120.31 -107.76 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 40' ' ' VAL . 87.0 t -54.44 -15.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.4 t -161.37 124.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.686 HG22 ' H ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -77.28 -161.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.686 ' H ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.51 77.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -82.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' ARG . 47.0 m-85 -61.17 -31.97 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 4.3 ptm180 -36.09 -38.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.2 t-160 -92.72 -68.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.65 -30.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -34.24 68.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -53.18 -16.88 4.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.598 1.186 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.721 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.61 -61.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.618 0.834 . . . . 0.0 111.067 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.721 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 38.4 tt0 -42.48 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' CE ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -45.44 -30.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.24 -52.14 17.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.537 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.896 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -46.14 -33.64 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.806 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -89.45 -4.59 57.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.703 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.69 -46.4 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -81.15 -9.94 59.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -45.04 -62.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.703 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.34 0.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.528 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -108.46 -45.53 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -94.06 -35.85 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.397 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.63 -2.02 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -109.13 -49.46 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.384 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG13 ' H ' ' A' ' 25' ' ' GLY . 5.1 p -52.55 -62.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.687 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -71.3 -14.23 74.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.17 55.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' ASP . 6.3 m-20 -88.54 -87.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.388 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' HG13 ' A' ' 31' ' ' ILE . 10.5 mmtm -139.17 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ILE . . . -83.26 -55.15 2.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.608 1.192 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.69 -10.53 1.64 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.516 0.774 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' GLY . 7.5 mt -41.25 -42.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 35' ' ' MET . 3.5 mp -71.77 -81.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.701 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 40.85 -94.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' ILE . 1.1 mm? -53.71 -23.01 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.573 ' HB3' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -88.59 -11.75 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.923 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.701 HG23 ' CA ' ' A' ' 33' ' ' GLY . 80.9 t -48.62 -21.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -176.14 32.64 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.579 1.174 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.9 -111.48 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' VAL . 59.4 t -63.61 -13.46 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 55.16 167.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.442 ' N ' HG13 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -62.49 155.79 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.02 -138.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -127.76 -61.6 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.128 . . . . 0.0 110.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -116.87 -33.16 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.19 5.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -82.54 -74.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.514 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 173.47 -34.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 5.3 t -46.91 -48.86 21.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -39.66 -26.62 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -96.03 -61.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.98 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 tt0 -40.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.38 -22.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.903 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -83.77 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.8 t-160 -20.92 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.74 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.81 -17.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.903 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.3 tppt? -36.9 -53.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -104.32 -53.93 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -24.5 -43.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.226 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.625 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.22 -60.31 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.93 ' O ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -43.75 -48.27 8.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' HG22 ' A' ' 24' ' ' VAL . . . -74.59 -41.49 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.25 -31.82 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.555 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -83.8 -32.25 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.93 HG13 ' O ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -84.38 120.83 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.19 -48.68 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -73.76 -2.53 23.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 7.3 m-20 -99.18 -93.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 31' ' ' ILE . 6.7 mmtm -116.27 -24.23 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.713 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 53.97 15.01 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.607 1.192 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 88.2 14.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 0.802 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 28' ' ' LYS . 4.3 mt -33.41 -45.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -39.95 -53.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.808 ' HA2' HG23 ' A' ' 36' ' ' VAL . . . -51.05 -42.73 48.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.616 ' HB3' HG22 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -55.19 -19.23 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.196 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.463 ' C ' ' N ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -93.48 -9.44 38.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.808 HG23 ' HA2' ' A' ' 33' ' ' GLY . 38.4 t -40.54 -27.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 174.97 32.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.535 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -123.82 -9.33 5.8 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 4.2 t 70.78 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.392 0.701 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.735 HG12 ' N ' ' A' ' 41' ' ' ILE . 2.1 t 61.81 -78.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.735 ' N ' HG12 ' A' ' 40' ' ' VAL . 7.1 mt -44.34 167.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.46 -138.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -162.64 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.582 ' CD1' ' HA3' ' A' ' 9' ' ' GLY . 5.3 m-30 -82.0 -64.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 78.11 -28.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.488 ' H ' ' C ' ' A' ' 4' ' ' PHE . 2.2 t-160 -142.73 -53.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.44 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.966 ' O ' HG12 ' A' ' 12' ' ' VAL . 5.9 t -41.36 -51.23 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.582 ' HA3' ' CD1' ' A' ' 4' ' ' PHE . . . -40.12 -25.55 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.8 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.727 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -44.31 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 8' ' ' SER . 7.2 p -45.31 -28.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.875 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -73.05 -72.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.621 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.871 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -27.3 -55.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.602 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -49.74 -9.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.91 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -150.63 -30.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.871 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -28.51 -73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.212 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -24.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.789 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.19 -69.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -60.0 -43.4 95.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 18' ' ' VAL . 11.2 tp10 -54.46 -30.63 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 6.3 t0 -80.53 -47.25 14.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -91.46 -77.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.9 -31.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -129.85 57.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 3.9 t-20 -69.72 -39.29 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.633 ' HA ' HD12 ' A' ' 31' ' ' ILE . 12.8 mmmt -46.47 -43.4 16.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -85.23 -35.36 12.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . . . -66.39 -2.64 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -72.35 -24.41 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.452 HG23 ' HA ' ' A' ' 36' ' ' VAL . 3.7 mm -85.13 -92.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' LEU . . . 40.14 -160.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.405 1.066 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -39.5 -36.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.666 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.6 mtt -54.57 -60.93 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.452 ' HA ' HG23 ' A' ' 32' ' ' ILE . 2.1 t 65.57 -13.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.666 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 159.02 -50.62 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . -142.64 6.88 2.18 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 35' ' ' MET . 1.1 t 78.62 -24.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.508 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -32.84 137.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.415 ' CG1' ' H ' ' A' ' 42' ' ' ALA . 1.5 tt -64.3 -174.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' H ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.345 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.673 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 1' ' ' ASP . . . 165.15 95.47 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.398 1.061 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.655 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -132.91 6.02 3.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 1.6 m-85 66.71 -22.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.655 ' H ' ' C ' ' A' ' 3' ' ' GLU . 4.5 ttt85 -109.64 -15.08 14.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.22 -36.44 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.705 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -136.76 86.68 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -149.01 -50.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.953 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.557 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -80.82 27.47 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -175.49 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 7' ' ' ASP . 2.7 tt0 -56.25 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.3 p -49.61 -23.69 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 109.387 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.817 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -78.31 -72.47 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.689 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.689 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.2 t-160 -31.19 -51.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.553 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.792 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -49.27 -20.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.817 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.2 tppt? -24.5 -53.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -110.86 -55.14 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -26.92 -46.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.4 t80 -54.65 -58.94 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -43.97 -40.36 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -86.14 -28.92 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.16 -10.25 59.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.6 t0 -101.9 -46.07 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 21' ' ' ALA . 13.5 p -57.8 85.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 32.64 33.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.659 ' OG ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t 57.99 58.24 3.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' HB2' ' CG1' ' A' ' 24' ' ' VAL . 1.2 m-20 -36.33 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.937 ' HA ' HD12 ' A' ' 31' ' ' ILE . 5.8 mmmt -140.1 -45.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.624 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -45.8 -49.27 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.659 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -58.26 -9.94 1.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 0.734 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 28' ' ' LYS . 8.8 mt -105.64 7.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 29' ' ' GLY . 4.7 mt -46.51 -26.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.849 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -44.71 -27.72 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -53.51 -20.03 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.536 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -90.73 2.69 55.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.0 m -41.95 -33.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.96 -32.89 22.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.578 1.174 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 35' ' ' MET . . . -92.84 -105.73 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' VAL . 3.6 t -51.23 -16.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.815 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER 58.09 160.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.749 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.2 tt -56.04 -166.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.749 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.72 -136.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -176.62 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -57.82 -31.19 66.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 6' ' ' HIS . 1.3 ptt180 -70.35 -33.19 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -83.35 -32.94 25.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.629 1.206 . . . . 0.0 109.541 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.545 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 1.2 m-20 -36.89 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER 69.91 -46.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.872 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.69 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -79.72 18.38 7.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.791 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.6 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 15.7 pt-20 -37.56 -53.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.358 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 8.8 p -66.27 -40.02 85.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -64.82 -67.29 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.967 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -33.61 -50.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.675 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.642 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -47.72 -19.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.715 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.7 tppt? -24.82 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -139.46 -20.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 14' ' ' HIS . 24.9 t -47.32 -64.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -15.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -100.06 -70.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.909 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -59.38 -20.04 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.208 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.599 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 9.3 tm-20 -82.44 -27.81 31.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t70 -82.19 -31.84 30.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.3 -55.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -84.43 28.24 4.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER 176.77 41.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 5.5 t-20 -74.38 -38.56 63.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 4.6 mmtt -43.74 -61.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -56.23 -33.83 61.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.451 1.095 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -61.22 -6.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 0.79 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 28' ' ' LYS . 34.5 mt -85.33 -24.67 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.675 HG22 ' CG2' ' A' ' 36' ' ' VAL . 94.4 mt -54.86 -102.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.631 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 39.38 -93.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -52.54 -25.7 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.63 ' SD ' HD11 ' A' ' 41' ' ' ILE . 2.5 ttt -83.94 -13.08 54.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.675 ' CG2' HG22 ' A' ' 32' ' ' ILE . 96.0 t -54.29 -16.76 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -169.59 29.82 0.14 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.54 -111.19 3.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' VAL . 84.8 t -64.54 -13.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.721 ' O ' HG12 ' A' ' 40' ' ' VAL . 1.7 t 36.68 88.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.64 ' N ' HD13 ' A' ' 41' ' ' ILE . 2.6 mm -57.8 158.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.77 -138.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.582 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 2.2 tp10 -117.39 -10.1 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 167.05 -45.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -21.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.568 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -109.98 -55.0 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.395 1.059 . . . . 0.0 109.645 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -42.97 -23.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.478 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.3 t -71.42 7.84 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.618 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.84 6.62 52.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.607 1.192 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.737 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.16 -35.59 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.5 pt-20 -35.08 -53.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 7.3 p -67.15 -38.43 81.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.878 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -72.82 -62.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.508 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.729 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.4 t-160 -25.01 -56.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.739 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.64 -17.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.878 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.2 tppt? -37.78 -53.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 19' ' ' PHE . 2.4 tt -103.54 -55.27 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.58 -45.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -52.68 -59.02 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -44.85 -51.84 9.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.86 -32.95 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -60.89 -29.52 69.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.76 -45.9 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.49 -76.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -36.97 -29.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.523 ' C ' HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -131.83 62.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 0.0 110.013 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -138.45 -48.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -48.68 -55.17 11.55 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 -8.28 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.374 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.583 ' C ' HG23 ' A' ' 32' ' ' ILE . 4.9 mp -118.68 6.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG23 ' C ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER 58.31 139.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.545 ' N ' HD12 ' A' ' 32' ' ' ILE . . . -158.79 -82.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -39.06 -30.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 0.805 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.689 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -82.55 -46.58 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 68.03 -20.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.689 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 115.81 4.51 19.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.58 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -122.51 -5.16 8.65 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t 73.39 -10.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.633 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 52.06 177.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.749 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 34.92 -146.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.749 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.64 -138.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.585 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.31 10.94 2.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 69.77 -29.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.585 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -48.75 -22.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -90.66 -31.93 16.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' PHE . 3.0 m-20 66.71 4.84 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.44 151.75 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.066 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.66 -11.93 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -117.2 -57.29 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.705 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 3.9 tt0 -59.71 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -57.55 -22.26 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.78 -69.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.9 t-160 -21.83 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.559 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.749 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.76 -17.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.8 tppt? -37.05 -54.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.3 tt -104.14 -55.09 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.749 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.37 -44.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -51.84 -59.16 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -46.1 -47.91 17.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 111.077 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.716 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -75.46 -29.51 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.6 tm-20 -67.7 -26.79 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.222 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 2.0 t0 -82.49 -8.43 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.214 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -120.18 -76.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -49.49 -21.14 2.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -133.58 58.94 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.387 0.698 . . . . 0.0 110.034 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -171.43 -51.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.399 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.619 ' O ' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -48.03 -48.14 33.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 32' ' ' ILE . . . -77.34 -36.01 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.36 -2.68 4.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 0.816 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 28' ' ' LYS . 23.5 mt -53.42 -50.78 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.757 HD12 ' H ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -39.51 158.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.757 ' H ' HD12 ' A' ' 32' ' ' ILE . . . 67.75 -59.51 0.34 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.21 -38.42 89.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 0.823 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 37' ' ' GLY . 19.8 mmt -104.94 0.87 28.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG23 HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -42.97 -27.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 109.382 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.614 ' HA2' HD13 ' A' ' 41' ' ' ILE . . . -124.85 37.57 2.55 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.398 1.061 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -132.89 -107.88 1.06 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.5 t -55.35 -13.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.4 t -159.48 115.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD13 ' HA2' ' A' ' 37' ' ' GLY . 26.7 mm -79.02 2.04 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.473 1.108 . . . . 0.0 109.212 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' H ' HG12 ' A' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 -137.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.598 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.4 tp10 -118.39 -7.81 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 166.04 -45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -21.21 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -106.93 -52.86 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.545 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.45 -23.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 11' ' ' GLU . 2.6 t -70.4 6.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.624 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.56 7.36 53.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.738 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -174.96 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.59 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.1 pt-20 -37.68 -53.58 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.59 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 13.1 p -66.12 -35.92 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.945 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -74.16 -64.16 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -31.3 -47.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.54 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.941 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.26 -7.71 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.945 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -25.39 -45.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.661 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -121.08 -49.83 2.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -33.5 -38.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD2' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t80 -59.03 -57.97 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -45.06 -39.41 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.819 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -86.25 -28.32 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -70.51 -26.47 63.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -25.08 24.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.819 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -97.0 120.56 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.36 -35.2 3.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.19 33.52 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -168.1 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -71.16 -40.45 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.686 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -44.01 -22.19 0.29 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 29' ' ' GLY . . . 163.95 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER 70.16 1.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.664 ' CG2' HG23 ' A' ' 36' ' ' VAL . 63.5 mt -77.19 -91.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . 34.75 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -43.73 -35.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -89.24 -26.48 21.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG23 ' CG2' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -40.08 -27.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.487 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -48.02 -50.32 21.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.588 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -156.08 -8.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 40' ' ' VAL . 71.9 t 74.52 -7.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.444 0.732 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 39' ' ' VAL . 11.1 t -163.72 110.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.734 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 35.32 -146.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.734 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -104.19 -136.85 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 4.8 tp10 90.12 -25.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' SER . 22.2 m-85 -116.42 -25.17 7.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -47.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 8' ' ' SER . 2.6 t-80 -130.1 -50.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -42.86 -27.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.528 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 26.4 t -51.08 -26.45 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.97 -10.48 33.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.386 1.053 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.707 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -106.04 -61.75 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.499 0.764 . . . . 0.0 111.056 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.707 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.4 pp20? -43.5 -55.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -64.63 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -73.66 -51.49 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.869 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -46.27 -34.0 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.787 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 1.1 tp60 -91.4 -3.78 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.5 tppt? -100.32 -45.78 5.48 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 ' HB3' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.38 -15.48 57.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -44.62 -56.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 3.2 m-85 -58.28 -10.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.739 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -104.49 -44.67 4.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -80.41 -50.73 9.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 1.2 tp10 -58.08 -21.19 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 2.0 t70 -87.32 -23.74 24.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 21' ' ' ALA . 1.9 p -108.0 118.79 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 30' ' ' ALA . . . 68.18 4.98 39.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.74 ' HA ' HD11 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -138.2 24.04 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.939 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 4.2 m-20 -88.01 -87.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CA ' HG12 ' A' ' 31' ' ' ILE . 9.9 mttt -139.44 -56.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 31' ' ' ILE . . . -47.71 -63.94 3.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' CB ' ' HA2' ' A' ' 25' ' ' GLY . . . -56.91 -12.52 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.74 HD11 ' HA ' ' A' ' 26' ' ' SER . 2.0 mm -90.48 -23.55 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -75.96 -47.93 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.516 ' HA2' ' CG2' ' A' ' 36' ' ' VAL . . . -56.81 -19.29 28.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.53 1.144 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 34' ' ' LEU . 8.3 tp -74.0 -23.74 59.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -110.89 -11.03 14.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.516 ' CG2' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -50.48 -20.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 178.18 29.31 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.089 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -122.13 -13.6 4.85 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 5.3 t 68.98 -1.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 38' ' ' GLY . 1.1 t 73.12 123.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.542 HG22 HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -87.62 150.86 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . -115.55 -138.12 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 2.9 tp10 82.0 -48.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -54.19 -29.8 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 26.2 ptt85 -39.69 -40.82 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.488 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.2 t-160 -53.78 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' GLY . 1.9 m-20 -39.29 -68.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.1 t 47.05 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -34.54 -29.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.75 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -83.26 -61.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 111.042 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.75 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.4 pt-20 -46.67 -52.05 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.554 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 4.0 p -64.69 -20.58 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.17 -68.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.503 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.5 t-160 -22.44 -55.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.728 ' CA ' HG23 ' A' ' 18' ' ' VAL . 1.6 tp-100 -45.97 -17.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.2 tppt? -36.96 -54.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -103.79 -54.04 2.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.74 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.16 -43.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.6 -59.63 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -45.57 -38.48 6.53 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -85.31 -32.2 22.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.173 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -75.88 -8.65 57.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.903 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 1.2 t0 -101.06 -50.98 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.681 HG13 ' H ' ' A' ' 25' ' ' GLY . 4.7 p -51.35 -61.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.681 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -68.52 -16.07 69.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -126.93 54.88 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.92 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ASP . 22.0 t-20 -45.95 -26.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' ILE . 20.3 mmtm -46.81 -50.15 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.786 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -71.9 -36.16 61.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.903 ' HB2' ' CG ' ' A' ' 23' ' ' ASP . . . -68.16 -1.42 6.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.207 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 9.3 mm -53.96 -41.11 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -86.73 -160.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.643 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 57.42 144.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.967 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER 78.02 -23.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.349 0.676 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' GLY . 13.5 mtt -132.51 3.6 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.896 ' HB ' HD11 ' A' ' 41' ' ' ILE . 12.5 t -33.96 -32.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 35' ' ' MET . . . -151.06 -65.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.727 ' C ' HG23 ' A' ' 39' ' ' VAL . . . -144.76 8.65 1.79 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 34' ' ' LEU . 3.9 t 89.18 -22.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.234 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' ILE . 72.0 t -33.09 -87.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.896 HD11 ' HB ' ' A' ' 36' ' ' VAL . 9.4 mt 20.82 -129.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.622 1.201 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.638 ' HB2' ' CD2' ' A' ' 6' ' ' HIS . . . 62.71 109.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -115.26 -18.96 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 162.58 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -35.5 -47.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.638 ' CD2' ' HB2' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -62.74 -75.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.763 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -25.12 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 6' ' ' HIS . 1.9 t -53.91 127.17 25.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.7 -7.42 15.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.081 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -163.83 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 0.6 OUTLIER -61.28 -65.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.79 -25.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.891 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.54 -69.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.697 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 1.016 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -25.13 -57.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.4 -9.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.25 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -154.65 -14.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.016 HG23 ' O ' ' A' ' 14' ' ' HIS . 21.6 t -40.38 -72.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.85 -19.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -95.1 -70.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' LEU . . . -58.81 -29.72 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.5 tm-20 -70.54 -31.04 67.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.594 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -78.69 -40.78 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.333 1.02 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -94.41 -72.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.39 -31.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -41.03 -27.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.097 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER 71.36 -60.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.816 ' CA ' HD12 ' A' ' 31' ' ' ILE . 6.5 mmtt -144.61 -36.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.758 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 82.6 16.8 69.9 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.398 1.061 . . . . 0.0 111.013 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 90.46 12.4 0.05 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.816 HD12 ' CA ' ' A' ' 28' ' ' LYS . 3.8 mt -27.43 -53.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 35' ' ' MET . 6.0 mt -68.0 -78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.734 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 41.39 -94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.541 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.1 tp -54.46 -21.29 9.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.532 ' HB3' HG23 ' A' ' 32' ' ' ILE . 3.9 mtt -91.53 -10.9 39.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.734 HG23 ' CA ' ' A' ' 33' ' ' GLY . 70.4 t -44.86 -24.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 172.32 36.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.4 -111.17 2.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 40' ' ' VAL . 54.9 t -63.2 -13.48 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.573 0.808 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -32.73 -40.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.351 1.032 . . . . 0.0 109.236 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 4.1 tt -47.47 164.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.31 -136.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -171.68 -47.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -47.18 -30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -48.18 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.638 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.83 -41.32 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.923 ' O ' HG12 ' A' ' 12' ' ' VAL . 11.8 t -46.32 -46.88 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -41.85 -24.2 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.711 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.21 -61.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 111.052 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.711 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 3.3 tt0 -42.18 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 8' ' ' SER . 10.9 p -51.71 -22.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.57 -69.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.2 t-160 -21.08 -55.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.734 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.61 -16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.4 tppt? -41.45 -53.73 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.973 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -101.09 -55.73 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.752 HG12 ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -22.48 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -43.15 -46.58 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -86.0 -41.94 14.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.732 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -77.65 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.752 ' CG ' HG12 ' A' ' 18' ' ' VAL . 2.8 tm-20 -35.05 -40.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -60.13 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.4 p -65.14 126.87 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.08 -45.05 3.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -103.3 35.71 2.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.063 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.811 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -83.5 -49.69 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.881 ' O ' HD12 ' A' ' 31' ' ' ILE . 29.8 mmtm -46.1 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -44.12 -32.37 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.811 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -54.36 -11.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.881 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.5 mp -78.18 -15.63 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.777 HG22 ' N ' ' A' ' 33' ' ' GLY . 64.5 mt 38.7 -97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.777 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 34.01 86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.433 1.083 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HB3' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER 48.74 20.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.361 0.683 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.93 14.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 111.079 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.7 t -57.61 -19.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.14 -2.09 61.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -120.6 -109.47 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.25 -17.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER 56.24 174.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.746 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.5 tp -56.07 -166.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.746 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.599 ' OD2' ' CD2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.19 46.36 23.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -175.54 -50.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CD2' ' OD2' ' A' ' 1' ' ' ASP . 6.9 m-30 -43.14 -33.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 1.5 ptp85 -39.2 -40.42 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -102.21 -50.96 3.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -45.94 -23.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 6' ' ' HIS . 18.6 t -69.59 0.56 5.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.655 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -95.88 7.81 67.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.661 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -175.78 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.606 0.827 . . . . 0.0 111.01 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.61 ' HG3' ' HB2' ' A' ' 42' ' ' ALA . 2.6 tt0 -39.81 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.5 p -45.16 -26.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.827 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -75.87 -75.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.761 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.0 t-160 -29.4 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.635 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.842 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.6 -17.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.827 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.62 -45.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.594 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -122.36 -50.07 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -28.21 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -55.24 -58.96 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.661 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -44.06 -47.11 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -77.43 -34.5 54.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.44 -33.31 63.48 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -65.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -48.75 -71.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 1.086 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -33.24 -37.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.718 ' O ' HD13 ' A' ' 31' ' ' ILE . 2.6 m -85.18 43.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 0.828 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -64.58 -68.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' CA ' HG12 ' A' ' 31' ' ' ILE . 17.0 mmtt -138.8 -46.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -76.21 -69.9 1.34 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.086 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -65.14 2.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -31.08 -59.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.368 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.683 HG22 ' N ' ' A' ' 33' ' ' GLY . 2.7 mt -135.85 -77.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.683 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 44.33 -90.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 32' ' ' ILE . 5.3 tp -53.42 -19.02 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.56 ' CB ' HG23 ' A' ' 32' ' ' ILE . 2.9 mtm -91.26 -4.75 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 33' ' ' GLY . 3.0 t -48.86 -22.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -72.37 -29.07 66.71 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.479 1.112 . . . . 0.0 111.061 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.719 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . 125.94 76.81 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.474 ' CA ' ' HG2' ' A' ' 35' ' ' MET . 2.9 t 66.82 -24.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.719 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER 58.63 112.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 42' ' ' ALA . 42.5 mm -61.1 167.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.61 ' HB2' ' HG3' ' A' ' 11' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.64 -138.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.59 -51.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' O ' ' OG ' ' A' ' 8' ' ' SER . 73.9 m-85 -114.76 -31.91 5.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.95 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -8.79 30.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 110.191 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -86.47 -77.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.634 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.653 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -28.97 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.66 122.4 14.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.8 -5.0 9.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -164.34 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 4.1 tt0 -58.24 -67.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -53.98 -27.77 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.905 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -78.73 -68.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.724 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.3 t-160 -21.5 -56.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.741 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.49 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.905 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -38.14 -53.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.6 tt -103.89 -55.1 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.741 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.33 -45.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.9 t80 -52.2 -59.4 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.09 -50.3 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 111.049 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -73.33 -34.35 65.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.05 -25.39 63.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -46.17 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.89 -74.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -39.76 -26.75 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -34.32 -56.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.538 ' C ' ' HG2' ' A' ' 28' ' ' LYS . 30.6 t-20 78.06 -54.77 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG2' ' C ' ' A' ' 27' ' ' ASN . 13.3 mmmt -151.06 92.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.791 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 48.2 32.3 9.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 99.41 -21.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.676 ' O ' HG23 ' A' ' 31' ' ' ILE . 1.6 tt 40.5 26.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.629 HG13 ' HB1' ' A' ' 30' ' ' ALA . 1.4 pp -128.09 -54.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' HD12 ' A' ' 32' ' ' ILE . . . -49.6 -41.01 33.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -29.54 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 0.808 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.493 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -99.33 -9.85 23.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.092 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ILE . 4.4 t -63.73 -11.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.26 16.47 1.89 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.61 -110.67 2.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.612 0.831 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' VAL . 61.9 t -95.62 -13.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.724 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 51.97 176.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.611 ' N ' HG13 ' A' ' 40' ' ' VAL . 1.4 mp -51.79 166.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HB3' ' CD2' ' A' ' 6' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 6' ' ' HIS . . . -109.14 -137.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 4' ' ' PHE . 2.8 mm-40 -119.7 -34.65 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 39.8 m-85 -157.06 -43.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -20.48 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.566 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 2.4 t60 -66.85 -77.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -149.05 -38.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.19 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.038 ' O ' HG12 ' A' ' 12' ' ' VAL . 14.5 t -49.59 -41.47 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -46.16 -21.2 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -100.04 -62.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 11.7 tt0 -44.51 -65.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.038 HG12 ' O ' ' A' ' 8' ' ' SER . 11.0 p -52.97 -20.74 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.853 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -86.95 -67.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.636 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 1.046 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -22.78 -53.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.8 -17.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.212 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.853 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.6 tppt? -35.49 -52.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.881 ' CD1' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -132.62 -17.8 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 14' ' ' HIS . 18.3 t -55.59 -11.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -108.36 0.87 21.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.599 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -126.92 -42.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.881 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -88.89 -9.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 4.0 tm-20 -97.72 -25.99 14.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -5.55 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.75 -102.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.71 -26.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -108.41 48.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -45.31 -49.64 12.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' CB ' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -154.85 95.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.772 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 56.22 15.81 12.12 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 93.32 7.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 0.828 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.494 HD12 ' CB ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -37.53 -45.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.585 HG22 ' N ' ' A' ' 33' ' ' GLY . 19.0 mt -86.07 -106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.585 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 57.08 148.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.949 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 73.72 -22.78 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.713 ' C ' ' H ' ' A' ' 37' ' ' GLY . 16.2 mtt -121.45 -37.2 2.94 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.548 1.155 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.457 ' H ' HG22 ' A' ' 32' ' ' ILE . 2.6 t 63.49 -13.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.713 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 120.68 35.92 0.81 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.596 ' O ' HG22 ' A' ' 41' ' ' ILE . . . -104.01 -107.27 3.17 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.1 t -53.13 -16.58 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.791 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG11 ' HA2' ' A' ' 37' ' ' GLY . 7.9 p -38.5 -30.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -47.99 161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.17 33.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.657 ' C ' ' CE1' ' A' ' 6' ' ' HIS . 0.8 OUTLIER -146.51 -83.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.513 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 7.7 m-30 -37.19 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -37.79 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -64.86 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.564 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 31.6 t -68.71 1.11 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.628 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -96.23 6.1 65.91 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -174.28 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 0.69 . . . . 0.0 111.042 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 7' ' ' ASP . 13.2 tt0 -34.62 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -47.66 -35.11 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.842 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.69 -68.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.772 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 t-160 -20.42 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.661 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.796 ' CA ' HG23 ' A' ' 18' ' ' VAL . 2.1 tp-100 -41.71 -20.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.842 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -32.62 -57.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -105.58 -53.29 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG23 ' CA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -24.08 -43.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.649 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.17 -59.28 4.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.671 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.65 -47.64 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -76.47 -30.24 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -59.92 -36.18 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.5 OUTLIER -69.67 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -57.22 -60.45 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.02 -27.87 15.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 2.4 m -73.18 -4.51 33.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.038 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -55.07 -84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE2' HD13 ' A' ' 31' ' ' ILE . 7.7 mmpt? 64.07 101.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' O ' HD12 ' A' ' 32' ' ' ILE . . . 155.89 -42.82 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.46 2.96 8.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 0.739 . . . . 0.0 109.346 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 31' ' ' ILE . 4.0 mp -99.92 5.18 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.711 HG22 ' N ' ' A' ' 33' ' ' GLY . 8.2 mt -42.14 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.835 ' O ' HG22 ' A' ' 36' ' ' VAL . . . 40.48 -94.31 0.01 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -53.41 -21.04 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 0.832 . . . . 0.0 109.253 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' GLY . 3.1 mtm -100.91 3.36 41.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.9 m -34.3 -36.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.692 ' HA2' HG11 ' A' ' 40' ' ' VAL . . . 178.41 35.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.617 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -106.23 -110.83 3.52 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 40' ' ' VAL . 75.2 t -65.82 -13.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.581 0.812 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.736 HG13 ' H ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -34.17 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.736 ' H ' HG13 ' A' ' 40' ' ' VAL . 1.2 mp -55.95 158.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.59 68.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.366 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.558 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 1.4 tt0 -103.51 -24.16 13.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' ASP . 5.2 m-85 -116.05 -28.08 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -26.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -103.01 -26.47 13.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 6' ' ' HIS . 11.7 p-10 25.97 79.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.432 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 t -154.96 -48.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.97 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.539 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -81.81 25.8 3.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -173.18 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.74 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 ' CE ' ' A' ' 16' ' ' LYS . 1.8 p -47.47 -33.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.734 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -71.01 -55.12 8.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.646 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 t-160 -41.9 -38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.809 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -91.09 -1.58 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.734 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -99.24 -50.08 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.79 -12.03 57.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.809 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.15 -77.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.226 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -41.98 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.649 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.44 -65.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -70.52 -34.91 72.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 tp10 -57.27 -25.41 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -86.82 -63.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -61.55 -67.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.865 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -56.59 -15.52 12.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -145.8 70.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.86 ' O ' HD12 ' A' ' 31' ' ' ILE . 56.8 t-20 -98.16 -108.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -92.58 -51.11 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' N ' ' CG ' ' A' ' 28' ' ' LYS . . . -90.59 -45.81 4.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.865 ' HB1' ' O ' ' A' ' 25' ' ' GLY . . . -62.28 -4.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.734 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -36.75 -35.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.585 HG23 ' HB3' ' A' ' 35' ' ' MET . 95.9 mt -53.35 -81.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.696 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 40.67 -94.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.56 -23.3 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.406 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.585 ' HB3' HG23 ' A' ' 32' ' ' ILE . 1.3 mtt -87.75 -12.3 45.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.696 HG23 ' CA ' ' A' ' 33' ' ' GLY . 89.8 t -49.36 -21.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 172.74 36.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.54 -111.32 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 40' ' ' VAL . 61.7 t -62.99 -13.45 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -31.71 137.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 42' ' ' ALA . 1.6 mp -47.05 165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 6' ' ' HIS . . . 64.28 105.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.58 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 mt-10 -123.19 -2.0 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 165.76 -49.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -58.6 -42.32 87.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -93.38 -48.0 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.379 1.049 . . . . 0.0 109.502 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 23.9 t70 -40.17 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.408 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -44.86 -39.42 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.929 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -48.13 -21.51 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.25 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 111.022 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.701 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 2.6 tt0 -41.09 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 8' ' ' SER . 1.3 p -46.95 -24.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -80.76 -51.59 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.691 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.48 -38.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.553 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 1.003 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 44.4 tp60 -74.24 -5.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.843 ' N ' ' O ' ' A' ' 13' ' ' HIS . 4.2 tppt? -75.21 -53.55 8.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' ' C ' ' A' ' 18' ' ' VAL . 1.5 tt -61.53 -54.89 37.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.003 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.52 -53.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 4.1 m-30 -53.76 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.6 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -49.01 -43.0 39.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.778 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -75.01 -40.25 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.11 -19.37 64.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t70 -91.84 -42.33 10.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' ' 21' ' ' ALA . 9.1 p -75.18 100.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.48 29.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.1 t 51.98 19.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLY . 28.9 t-20 175.93 -95.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' HG3' HG22 ' A' ' 24' ' ' VAL . 6.5 mmmt 71.44 -46.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' ASN . . . -38.11 -59.75 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.565 1.166 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.82 ' HB3' HG12 ' A' ' 32' ' ' ILE . . . -130.82 -4.75 4.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER 61.38 10.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.82 HG12 ' HB3' ' A' ' 30' ' ' ALA . 11.6 mm -38.42 -31.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.496 ' HA2' ' CG2' ' A' ' 36' ' ' VAL . . . -48.26 -22.8 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.573 1.171 . . . . 0.0 111.048 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -65.09 -28.32 69.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.44 -15.83 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' HA2' ' A' ' 33' ' ' GLY . 89.9 t -63.94 -11.13 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.24 35.31 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.68 -111.46 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' VAL . 93.1 t -62.76 -13.71 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 53.91 171.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.773 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.1 tt 39.1 -162.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.773 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.684 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . . . -138.58 -159.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.655 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 3.4 tt0 100.58 -10.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.684 ' CZ ' ' HA ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -30.62 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -37.59 -39.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.469 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 2.1 t60 -81.62 -72.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.2 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.477 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 32.1 t -58.77 -24.87 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 13' ' ' HIS . . . -63.14 -9.39 28.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.3 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 0.727 . . . . 0.0 111.069 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 19.9 pt-20 -45.19 -55.46 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -65.17 -20.7 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.755 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -84.41 -55.51 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.931 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.747 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 t-160 -42.77 -33.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.423 1.077 . . . . 0.0 109.653 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.855 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -87.1 -10.49 52.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.755 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -47.3 -66.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -6.51 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.855 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -98.95 -10.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -111.1 -3.03 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -33.25 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.613 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -98.41 -38.99 9.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -77.96 0.6 23.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -112.75 -42.92 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 21' ' ' ALA . 7.4 p -60.12 -58.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.569 ' N ' HG13 ' A' ' 24' ' ' VAL . . . -91.49 6.55 80.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.1 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -148.84 44.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.821 ' O ' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -82.93 -78.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.399 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' O ' HG22 ' A' ' 31' ' ' ILE . 8.3 mmtm -139.44 -50.97 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.386 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.38 -72.53 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.4 -12.76 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -50.07 -23.6 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.212 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.608 HG22 ' H ' ' A' ' 33' ' ' GLY . 8.0 mt -87.16 173.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.608 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 67.36 -58.82 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -37.26 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.717 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.8 mtp -82.97 -50.88 8.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 66.14 -22.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.223 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.717 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 161.92 -42.01 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.567 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . -147.33 10.71 1.32 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 1.4 t 74.43 -20.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.199 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.727 ' O ' HG12 ' A' ' 40' ' ' VAL . 1.3 t 40.95 92.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 41' ' ' ILE . 14.4 mm -79.64 2.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.973 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.92 29.19 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -115.71 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 3' ' ' GLU . 39.8 m-85 -162.14 -41.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -18.56 61.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -50.03 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.582 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -53.8 -41.46 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.015 ' O ' HG12 ' A' ' 12' ' ' VAL . 30.9 t -59.24 -30.28 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.068 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -60.12 -9.97 13.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.127 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.82 -62.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.5 pt-20 -45.91 -54.58 7.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.015 HG12 ' O ' ' A' ' 8' ' ' SER . 10.0 p -63.29 -21.77 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.932 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.72 -70.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.535 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -23.99 -60.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.6 -8.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.235 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.932 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.15 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -149.74 -27.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.2 t -28.86 -74.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.93 -29.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.732 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -80.21 -69.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.671 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -62.98 -56.86 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.08 -38.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -51.81 33.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.671 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.8 m -77.13 136.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . 87.43 -40.74 3.08 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -36.84 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.807 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER 158.31 121.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -37.94 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.916 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -41.91 -33.49 1.16 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.431 1.082 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -59.56 -5.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 0.706 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 31' ' ' ILE . 2.9 mp -121.71 6.56 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.401 1.063 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.654 HG22 ' H ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -141.91 -160.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.654 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 37.75 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ILE . 1.1 tp -48.72 -24.45 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' GLY . 1.5 mtt -99.18 -21.57 16.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.549 HG23 HG22 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -55.44 -15.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.25 -36.95 58.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.992 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -178.09 -105.15 0.19 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.8 t 49.16 -25.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.992 ' N ' ' O ' ' A' ' 38' ' ' GLY . 53.3 t -32.95 -83.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 42' ' ' ALA . 3.8 mt -52.24 166.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.364 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.569 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 6.9 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 75.45 75.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -144.65 -70.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.622 1.201 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.585 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 94.6 m-85 -41.93 -69.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 74.85 -36.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -121.7 -20.12 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER 69.4 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.035 ' O ' HG12 ' A' ' 12' ' ' VAL . 29.5 t -94.04 -50.22 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.927 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -43.21 -22.2 0.18 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.86 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 111.011 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 7.4 tt0 -43.85 -66.22 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 8' ' ' SER . 12.2 p -52.51 -20.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.912 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.25 -72.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.911 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -22.45 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.553 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -47.44 -9.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.912 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.82 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -149.78 -23.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.6 t -32.85 -73.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.71 -22.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -89.71 -65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 110.958 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -64.47 -32.37 73.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -74.32 -20.21 60.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.8 m-20 -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.648 HG13 ' H ' ' A' ' 25' ' ' GLY . 3.8 p -53.1 -61.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.213 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.648 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -62.27 -20.81 61.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.395 1.059 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -49.26 -61.48 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 26' ' ' SER . 61.7 t30 71.74 -52.39 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 11.9 mmtt -40.27 -60.64 1.03 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -64.18 -34.41 89.85 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . . . -68.03 -0.97 4.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.241 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 27' ' ' ASN . 3.2 mt -108.5 -14.96 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.663 HG22 ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER 68.95 -64.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.663 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 23.3 -134.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.56 1.162 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -77.09 11.01 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.223 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.863 ' SD ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 63.99 14.01 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 40' ' ' VAL . 38.6 t -51.58 -22.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' HA3' ' N ' ' A' ' 29' ' ' GLY . . . -73.24 -1.73 57.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . -115.74 -65.43 0.39 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.863 HG23 ' SD ' ' A' ' 35' ' ' MET . 59.5 t -49.46 -11.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 36' ' ' VAL . 39.1 t -25.78 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.485 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.1 mp -58.78 157.09 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.991 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 38.1 p-10 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 1' ' ' ASP . . . 175.41 122.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.03 -44.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 110.232 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' C ' ' N ' ' A' ' 6' ' ' HIS . 8.4 m-85 -94.11 -62.22 1.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 47.23 16.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 4' ' ' PHE . 3.9 t60 -131.22 -63.8 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -82.47 -49.14 10.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.931 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -64.59 -19.17 65.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.043 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.31 -2.27 47.55 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.683 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.41 -60.22 1.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 0.711 . . . . 0.0 111.081 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.683 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 28.0 tt0 -53.4 -72.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.931 HG12 ' O ' ' A' ' 8' ' ' SER . 1.6 p -49.34 -24.0 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.726 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -82.09 -48.74 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.666 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.644 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -43.33 -39.18 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.635 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.825 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.44 -3.25 55.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.726 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.42 -48.78 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.61 -22.13 63.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.825 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.17 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.7 m-85 -51.79 -55.74 18.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.56 -41.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.661 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -92.35 -28.98 16.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.3 mm-40 -79.84 4.29 17.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -117.42 -48.36 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 21' ' ' ALA . 6.3 p -53.65 -59.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.778 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -83.34 -3.83 89.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -134.4 48.11 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.751 . . . . 0.0 109.983 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -106.74 -81.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.968 ' HA ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -119.14 -107.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -36.15 -34.62 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 25' ' ' GLY . . . -71.51 -2.29 16.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.968 HD13 ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -88.26 -35.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.0 -43.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.626 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -52.71 -31.41 37.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -39.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.648 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -80.4 -53.2 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 33' ' ' GLY . 2.2 t 66.11 -13.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.648 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 119.09 34.26 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.563 1.164 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.89 -107.53 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 40' ' ' VAL . 78.1 t -59.04 -14.28 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 54.22 170.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 42' ' ' ALA . 15.4 mm -61.65 167.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.534 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 -136.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.599 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -138.13 10.88 2.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 70.11 -30.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -44.48 -40.84 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.486 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 t-160 -96.59 -54.9 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.768 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -40.55 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.19 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 7' ' ' ASP . 28.1 t -23.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.977 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -41.03 -25.43 0.12 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.14 -139.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 0.812 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.663 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 30.96 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.375 1.047 . . . . 0.0 110.331 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.642 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -43.63 -36.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.884 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.2 -68.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.661 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.4 t-160 -39.3 -29.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.495 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.793 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 2.5 tp60 -87.79 -6.22 58.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 1.133 ' HZ1' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -98.24 -32.35 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.133 HD12 ' HZ1' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -87.67 -11.9 47.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.793 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -47.05 -62.33 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.95 2.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 1.03 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -107.55 -43.03 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.925 -179.885 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.601 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -95.37 -37.76 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -74.95 -2.36 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.29 -50.04 3.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 25' ' ' GLY . 3.9 p -53.63 -64.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.727 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -62.93 -19.75 61.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.586 1.178 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.01 -3.74 27.99 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 0.831 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.53 -70.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -46.97 -51.01 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -66.28 -33.07 83.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.53 -4.16 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 0.0 109.227 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' GLY . 47.9 mm -80.25 -22.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -110.91 -77.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 36' ' ' VAL . . . 34.81 -104.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -37.35 -32.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.7 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.6 mtp -85.25 -50.97 6.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 33' ' ' GLY . 1.6 t 65.06 -15.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.7 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 162.32 -49.16 0.33 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.429 1.081 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -146.74 10.64 1.44 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 1.1 t 78.46 -26.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -32.85 124.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.185 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 42' ' ' ALA . 26.3 mm -53.16 167.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.53 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.372 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.682 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 5.8 p-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 83.25 112.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -168.57 -42.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.634 1.209 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' SER . 75.6 m-85 -48.98 -31.97 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.498 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 6.1 ptt-85 -64.85 -41.58 95.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.498 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -79.84 -41.66 25.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.625 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -83.97 7.09 19.49 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' ' C ' ' A' ' 9' ' ' GLY . 31.1 t -44.71 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -5.67 -104.76 0.0 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.759 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -30.69 -70.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 111.052 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 3.7 tp10 -27.34 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 9' ' ' GLY . 2.8 p -38.75 -44.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -59.6 -71.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.639 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.798 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.3 t-80 -28.63 -54.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.615 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -43.92 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.777 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -21.4 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -130.68 -37.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.798 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -33.35 -64.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -43.77 -24.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.718 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.19 -68.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.68 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -65.64 -49.94 66.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 18' ' ' VAL . 7.3 tp10 -42.52 -35.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -50.19 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.68 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.1 m -78.15 141.06 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.65 -44.05 3.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -86.03 -78.72 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.449 0.734 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 0.9 OUTLIER 163.04 -87.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.651 ' O ' HD12 ' A' ' 31' ' ' ILE . 12.1 mmmt 70.14 -49.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 27' ' ' ASN . . . -71.79 -45.42 43.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.538 ' HB3' ' OD1' ' A' ' 27' ' ' ASN . . . -76.37 8.31 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.7 mt -39.14 -36.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.639 HG22 ' N ' ' A' ' 33' ' ' GLY . 24.6 mt 56.28 -85.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.639 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 31.42 -93.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -37.23 -32.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.725 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -77.75 -49.0 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 65.02 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.617 1.198 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.725 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 164.93 -47.51 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -147.9 10.52 1.21 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER 80.47 -28.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.398 0.705 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.736 ' O ' HG12 ' A' ' 40' ' ' VAL . 1.7 t 37.23 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 42' ' ' ALA . 14.0 mt -56.49 167.51 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.37 77.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -175.02 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 5' ' ' ARG . 3.4 m-85 -60.13 -32.82 71.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -35.03 -46.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 97.74 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 11' ' ' GLU . 29.9 m-20 -177.93 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -4.63 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.612 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -88.13 5.85 84.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.666 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -173.37 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 110.992 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' ASP . 15.4 tt0 -37.44 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.95 -30.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.976 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -76.11 -69.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.666 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -27.83 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.624 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.964 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -7.48 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.976 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.07 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -122.31 -49.63 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.917 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.964 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -34.07 -38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.624 ' CD2' ' HG2' ' A' ' 15' ' ' GLN . 1.3 t80 -59.07 -57.27 13.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.589 1.181 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.01 -46.53 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -77.8 -32.85 52.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.83 -36.33 67.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.57 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -56.76 -74.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -36.44 -31.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -132.11 63.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.811 ' H ' HD11 ' A' ' 32' ' ' ILE . 2.1 t-20 -39.22 -46.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HB2' HD12 ' A' ' 31' ' ' ILE . 5.5 mttp -152.97 89.42 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.761 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . 68.03 -32.96 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 29' ' ' GLY . . . 154.54 13.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.364 0.685 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -34.8 -33.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.811 HD11 ' H ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -101.86 141.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.779 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -134.8 -104.67 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -54.46 -19.61 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.417 ' C ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -89.33 -12.06 41.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 1.054 . . . . 0.0 111.029 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 33' ' ' GLY . 91.8 t -49.69 -20.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -176.42 33.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.62 -111.16 3.19 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' VAL . 55.1 t -76.27 -13.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 52.21 176.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.398 1.062 . . . . 0.0 109.364 -179.932 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 41' ' ' ILE . 1.8 mm -61.79 156.89 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -180.0 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.47 99.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.61 1.194 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.592 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -138.62 11.44 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.213 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 70.4 -30.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.927 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -83.65 -20.33 33.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.634 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 1.1 t60 -101.06 -52.24 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.646 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -36.53 -29.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -58.58 151.32 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.019 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.27 -31.05 8.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -133.35 -40.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 19.3 tt0 -46.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -45.14 -30.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.183 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -70.21 -70.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.624 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t-160 -38.83 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.062 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.754 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 6.0 tp60 -91.35 -8.79 47.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.92 -34.61 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' CB ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -82.31 -21.05 36.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.754 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.65 -47.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -53.69 -29.94 41.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CB ' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.46 -41.62 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -74.61 -66.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.56 -36.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 t0 -70.49 -51.45 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -77.5 134.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . 88.59 -40.27 3.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -36.57 -32.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 0.688 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.6 m120 -62.78 -91.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.725 ' CA ' HD12 ' A' ' 31' ' ' ILE . 2.9 mmtt -121.35 -34.69 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.762 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 77.61 6.81 87.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 92.9 17.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 0.723 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.938 HG22 HG12 ' A' ' 32' ' ' ILE . 3.4 mt -25.91 -50.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.938 HG12 HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -130.37 159.59 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' C ' ' N ' ' A' ' 35' ' ' MET . . . -139.5 -118.45 1.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -28.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.488 0.758 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.708 ' C ' ' H ' ' A' ' 37' ' ' GLY . 4.8 mtm -78.3 -53.54 7.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 32' ' ' ILE . 1.2 t 65.5 -16.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.708 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 161.84 -48.5 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.511 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -145.47 8.43 1.61 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG23 ' HA ' ' A' ' 35' ' ' MET . 1.0 OUTLIER 78.73 -25.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 38' ' ' GLY . 51.9 t -32.91 -86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 42' ' ' ALA . 2.6 mp -55.5 167.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.536 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 71.52 117.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.654 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -129.89 0.86 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 8' ' ' SER . 3.5 m-30 63.78 -16.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.654 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -58.57 -29.49 66.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.375 1.047 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.451 ' CE1' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -76.87 -93.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.625 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -133.48 -5.05 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 4.8 t -80.2 5.92 13.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.672 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -110.24 16.11 29.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.802 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.12 -55.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.607 0.827 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.2 tt0 -30.5 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -46.4 -39.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.929 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -64.87 -71.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.591 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.9 t-160 -31.39 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.8 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.07 -4.42 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.929 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -98.45 -31.41 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' CD2' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -94.0 3.7 54.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.8 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -59.98 -84.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CZ ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -38.6 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 111.028 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -68.95 -60.03 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 111.056 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.806 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -79.82 -29.72 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.45 -15.26 63.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.4 m-20 -99.05 -56.17 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' ' 21' ' ' ALA . 9.6 p -58.3 93.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.07 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 27' ' ' ASN . . . 38.31 29.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.0 OUTLIER 50.45 20.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 33.9 t-20 -173.02 -100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB2' HG22 ' A' ' 24' ' ' VAL . 3.6 mmmt 61.46 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.72 -49.05 0.88 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' HB3' ' OD1' ' A' ' 27' ' ' ASN . . . -72.51 0.58 10.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.586 HG22 HG13 ' A' ' 32' ' ' ILE . 1.3 mp -75.32 -40.36 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.592 HG23 ' HB3' ' A' ' 35' ' ' MET . 8.1 mt -134.15 -79.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.187 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.72 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 41.5 -95.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -54.39 -20.34 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 0.0 109.335 179.902 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.592 ' HB3' HG23 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -92.67 -10.61 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.72 HG23 ' CA ' ' A' ' 33' ' ' GLY . 75.2 t -45.35 -23.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 173.48 36.21 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.568 1.168 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.11 -111.15 2.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 40' ' ' VAL . 57.1 t -62.55 -13.6 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 0.747 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -32.16 138.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -42.91 160.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.4 t -57.22 156.71 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.59 -26.92 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -138.35 -44.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tt0 -45.93 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.18 -26.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.869 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -79.73 -72.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.918 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.9 t-160 -18.98 -58.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.562 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -42.05 -17.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.869 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -26.41 -49.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -128.05 -31.16 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 14' ' ' HIS . 0.9 OUTLIER -30.78 -61.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.214 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -41.66 -22.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 111.042 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.761 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -98.1 -68.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.739 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -59.96 -26.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.648 ' N ' ' O ' ' A' ' 18' ' ' VAL . 5.4 tm-20 -73.35 -38.19 65.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 109.278 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 21' ' ' ALA . 4.2 p -85.02 125.18 40.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.22 -41.61 3.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.045 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 1.018 ' O ' HG12 ' A' ' 12' ' ' VAL . 36.2 t -44.75 -47.76 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.48 -25.87 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.716 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.52 -61.67 1.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.577 0.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.716 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 8.4 tt0 -43.6 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 8' ' ' SER . 12.4 p -51.8 -21.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.838 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.41 -66.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.531 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 1.005 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 t-160 -22.43 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -44.48 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.838 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -29.1 -48.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.2 mt -141.41 -18.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 14' ' ' HIS . 40.5 t -45.86 -66.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -46.16 -16.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.548 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -99.79 -70.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -57.01 -23.41 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tm-20 -79.48 -32.22 42.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -30.37 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.78 -65.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -32.21 -35.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' VAL . 26.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.551 0.795 . . . . 0.0 110.06 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 1.023 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -45.1 -49.45 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.942 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -39.8 -25.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -98.19 -60.84 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -43.72 -66.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.023 HG12 ' O ' ' A' ' 8' ' ' SER . 8.8 p -53.43 -20.37 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.231 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.64 -72.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 1.04 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.9 t-160 -23.5 -58.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.385 1.053 . . . . 0.0 109.563 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.46 -9.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.96 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -154.3 -15.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 14' ' ' HIS . 21.5 t -40.69 -69.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -48.72 -16.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -94.7 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -66.1 -27.83 68.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.611 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.8 tm-20 -79.67 -19.93 47.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 26' ' ' SER . 0.4 OUTLIER -87.93 -42.46 12.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG13 ' H ' ' A' ' 25' ' ' GLY . 7.7 p -63.4 -60.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.633 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -71.9 -7.18 65.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -34.24 68.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -53.18 -16.88 4.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.598 1.186 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.721 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.61 -61.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.618 0.834 . . . . 0.0 111.067 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.721 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 38.4 tt0 -42.48 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' CE ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -45.44 -30.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.24 -52.14 17.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.537 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.896 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -46.14 -33.64 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.806 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.45 -4.59 57.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.703 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.69 -46.4 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -81.15 -9.94 59.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -45.04 -62.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.703 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.34 0.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.528 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -108.46 -45.53 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -94.06 -35.85 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.397 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.63 -2.02 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.13 -49.46 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.384 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG13 ' H ' ' A' ' 25' ' ' GLY . 5.1 p -52.55 -62.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.687 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -71.3 -14.23 74.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 5.3 t -46.91 -48.86 21.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -39.66 -26.62 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -96.03 -61.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.98 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 tt0 -40.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.38 -22.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.903 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -83.77 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.8 t-160 -20.92 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.74 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.81 -17.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.903 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.3 tppt? -36.9 -53.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -104.32 -53.93 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -24.5 -43.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.226 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.625 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.22 -60.31 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.93 ' O ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -43.75 -48.27 8.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' HG22 ' A' ' 24' ' ' VAL . . . -74.59 -41.49 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.25 -31.82 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.8 -32.25 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.93 HG13 ' O ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -84.38 120.83 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.19 -48.68 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.966 ' O ' HG12 ' A' ' 12' ' ' VAL . 5.9 t -41.36 -51.23 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.12 -25.55 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.8 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.727 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -44.31 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 8' ' ' SER . 7.2 p -45.31 -28.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.875 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -73.05 -72.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.621 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.871 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 t-160 -27.3 -55.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -49.74 -9.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.91 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -150.63 -30.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.871 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -28.51 -73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.212 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -24.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.789 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.19 -69.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -60.0 -43.4 95.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 18' ' ' VAL . 11.2 tp10 -54.46 -30.63 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 6.3 t0 -80.53 -47.25 14.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -91.46 -77.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.9 -31.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -149.01 -50.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.953 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.557 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -80.82 27.47 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -175.49 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 7' ' ' ASP . 2.7 tt0 -56.25 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.3 p -49.61 -23.69 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 109.387 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.817 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -78.31 -72.47 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.689 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.689 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.2 t-160 -31.19 -51.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.553 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.792 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -49.27 -20.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.817 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.2 tppt? -24.5 -53.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -110.86 -55.14 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -26.92 -46.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.4 t80 -54.65 -58.94 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -43.97 -40.36 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -86.14 -28.92 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -77.16 -10.25 59.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.6 t0 -101.9 -46.07 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 21' ' ' ALA . 13.5 p -57.8 85.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 32.64 33.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 24' ' ' VAL . 2.6 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.545 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER 69.91 -46.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.872 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.69 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -79.72 18.38 7.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.6 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 15.7 pt-20 -37.56 -53.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.358 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 8.8 p -66.27 -40.02 85.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -64.82 -67.29 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.967 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.5 t-160 -33.61 -50.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.675 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.642 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -47.72 -19.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.715 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.7 tppt? -24.82 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -139.46 -20.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 14' ' ' HIS . 24.9 t -47.32 -64.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -15.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -100.06 -70.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.909 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -59.38 -20.04 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.208 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.599 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 9.3 tm-20 -82.44 -27.81 31.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.19 -31.84 30.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.3 -55.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -84.43 28.24 4.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.478 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.3 t -71.42 7.84 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.618 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.84 6.62 52.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.607 1.192 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.737 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.16 -35.59 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.5 pt-20 -35.08 -53.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 7.3 p -67.15 -38.43 81.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.878 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -72.82 -62.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.508 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.729 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.4 t-160 -25.01 -56.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.739 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.64 -17.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.878 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.2 tppt? -37.78 -53.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 19' ' ' PHE . 2.4 tt -103.54 -55.27 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.58 -45.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -52.68 -59.02 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -44.85 -51.84 9.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.86 -32.95 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -60.89 -29.52 69.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.76 -45.9 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.49 -76.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -36.97 -29.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.44 151.75 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.066 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.66 -11.93 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -117.2 -57.29 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.705 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 3.9 tt0 -59.71 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -57.55 -22.26 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.78 -69.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.9 t-160 -21.83 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.559 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.749 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.76 -17.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.8 tppt? -37.05 -54.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.3 tt -104.14 -55.09 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.749 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.37 -44.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -51.84 -59.16 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -46.1 -47.91 17.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 111.077 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.716 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -75.46 -29.51 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.6 tm-20 -67.7 -26.79 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.222 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -82.49 -8.43 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.214 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -120.18 -76.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -49.49 -21.14 2.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.387 0.698 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 11' ' ' GLU . 2.6 t -70.4 6.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.624 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.56 7.36 53.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.738 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -174.96 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.59 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.1 pt-20 -37.68 -53.58 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.59 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 13.1 p -66.12 -35.92 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.945 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -74.16 -64.16 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.4 t-160 -31.3 -47.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.54 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.941 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.26 -7.71 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.945 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -25.39 -45.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.661 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -121.08 -49.83 2.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -33.5 -38.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD2' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t80 -59.03 -57.97 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -45.06 -39.41 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.819 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -86.25 -28.32 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -70.51 -26.47 63.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -25.08 24.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.819 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -97.0 120.56 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.36 -35.2 3.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.528 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 26.4 t -51.08 -26.45 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.97 -10.48 33.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.386 1.053 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.707 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -106.04 -61.75 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.499 0.764 . . . . 0.0 111.056 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.707 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.4 pp20? -43.5 -55.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -64.63 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -73.66 -51.49 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.869 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -46.27 -34.0 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.787 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.4 -3.78 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.5 tppt? -100.32 -45.78 5.48 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 ' HB3' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.38 -15.48 57.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -44.62 -56.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 3.2 m-85 -58.28 -10.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.739 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -104.49 -44.67 4.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -80.41 -50.73 9.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.499 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 1.2 tp10 -58.08 -21.19 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.0 t70 -87.32 -23.74 24.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 21' ' ' ALA . 1.9 p -108.0 118.79 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.18 4.98 39.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.939 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' GLY . 1.9 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.1 t 47.05 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -34.54 -29.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.75 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -83.26 -61.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 111.042 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.75 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.4 pt-20 -46.67 -52.05 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.554 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 4.0 p -64.69 -20.58 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.17 -68.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.503 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.5 t-160 -22.44 -55.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.728 ' CA ' HG23 ' A' ' 18' ' ' VAL . 1.6 tp-100 -45.97 -17.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.2 tppt? -36.96 -54.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -103.79 -54.04 2.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.74 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.16 -43.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.6 -59.63 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -45.57 -38.48 6.53 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -85.31 -32.2 22.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.173 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -75.88 -8.65 57.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t0 -101.06 -50.98 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.681 HG13 ' H ' ' A' ' 25' ' ' GLY . 4.7 p -51.35 -61.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.681 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -68.52 -16.07 69.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.763 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 1.9 t -53.91 127.17 25.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.7 -7.42 15.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.081 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -163.83 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 0.6 OUTLIER -61.28 -65.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.79 -25.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.891 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.54 -69.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.697 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 1.016 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.8 t-160 -25.13 -57.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.4 -9.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.25 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -154.65 -14.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.016 HG23 ' O ' ' A' ' 14' ' ' HIS . 21.6 t -40.38 -72.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.85 -19.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -95.1 -70.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' LEU . . . -58.81 -29.72 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.5 tm-20 -70.54 -31.04 67.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.594 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -78.69 -40.78 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.333 1.02 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -94.41 -72.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.39 -31.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.097 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.923 ' O ' HG12 ' A' ' 12' ' ' VAL . 11.8 t -46.32 -46.88 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -41.85 -24.2 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.711 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.21 -61.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 111.052 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.711 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 3.3 tt0 -42.18 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 8' ' ' SER . 10.9 p -51.71 -22.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.57 -69.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.2 t-160 -21.08 -55.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.734 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.61 -16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.4 tppt? -41.45 -53.73 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.973 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -101.09 -55.73 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.752 HG12 ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -22.48 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -43.15 -46.58 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -86.0 -41.94 14.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.732 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -77.65 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.752 ' CG ' HG12 ' A' ' 18' ' ' VAL . 2.8 tm-20 -35.05 -40.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -60.13 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.4 p -65.14 126.87 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.08 -45.05 3.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.063 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -69.59 0.56 5.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.655 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -95.88 7.81 67.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.661 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -175.78 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.606 0.827 . . . . 0.0 111.01 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' ASP . 2.6 tt0 -39.81 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.5 p -45.16 -26.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.827 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -75.87 -75.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.761 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.0 t-160 -29.4 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.635 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.842 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.6 -17.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.827 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.62 -45.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.594 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -122.36 -50.07 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -28.21 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -55.24 -58.96 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.661 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -44.06 -47.11 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -77.43 -34.5 54.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.44 -33.31 63.48 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -65.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -48.75 -71.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -33.24 -37.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' VAL . 2.6 m . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.608 0.828 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.653 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.66 122.4 14.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.8 -5.0 9.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -164.34 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 4.1 tt0 -58.24 -67.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -53.98 -27.77 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.905 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -78.73 -68.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.724 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.3 t-160 -21.5 -56.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.741 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.49 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.905 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -38.14 -53.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.6 tt -103.89 -55.1 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.741 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.33 -45.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.9 t80 -52.2 -59.4 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.09 -50.3 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 111.049 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -73.33 -34.35 65.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.05 -25.39 63.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -46.17 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.89 -74.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -39.76 -26.75 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 1.038 ' O ' HG12 ' A' ' 12' ' ' VAL . 14.5 t -49.59 -41.47 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -46.16 -21.2 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -100.04 -62.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 11.7 tt0 -44.51 -65.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.038 HG12 ' O ' ' A' ' 8' ' ' SER . 11.0 p -52.97 -20.74 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.853 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -86.95 -67.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.636 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 1.046 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.6 t-160 -22.78 -53.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.8 -17.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.212 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.853 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.6 tppt? -35.49 -52.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.881 ' CD1' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -132.62 -17.8 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 14' ' ' HIS . 18.3 t -55.59 -11.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -108.36 0.87 21.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.599 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -126.92 -42.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.881 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -88.89 -9.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 4.0 tm-20 -97.72 -25.99 14.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -5.55 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.75 -102.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.71 -26.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.6 t -68.71 1.11 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.628 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -96.23 6.1 65.91 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -174.28 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 0.69 . . . . 0.0 111.042 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 7' ' ' ASP . 13.2 tt0 -34.62 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -47.66 -35.11 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.842 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.69 -68.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.772 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 t-160 -20.42 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.661 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.796 ' CA ' HG23 ' A' ' 18' ' ' VAL . 2.1 tp-100 -41.71 -20.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.842 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -32.62 -57.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -105.58 -53.29 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.796 HG23 ' CA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -24.08 -43.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.649 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.17 -59.28 4.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.671 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.65 -47.64 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -76.47 -30.24 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -59.92 -36.18 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.5 OUTLIER -69.67 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -57.22 -60.45 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.02 -27.87 15.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 2.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.477 ' CG ' ' O ' ' A' ' 7' ' ' ASP . 11.7 p-10 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 t -154.96 -48.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.97 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.539 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -81.81 25.8 3.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -173.18 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.74 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 ' CE ' ' A' ' 16' ' ' LYS . 1.8 p -47.47 -33.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.734 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -71.01 -55.12 8.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.646 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 t-160 -41.9 -38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.809 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.09 -1.58 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.734 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -99.24 -50.08 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.79 -12.03 57.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.809 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.15 -77.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.226 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -41.98 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.649 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.44 -65.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -70.52 -34.91 72.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 tp10 -57.27 -25.41 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -86.82 -63.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -61.55 -67.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -56.59 -15.52 12.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 23.9 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.408 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -44.86 -39.42 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.929 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -48.13 -21.51 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.25 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 111.022 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.701 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 2.6 tt0 -41.09 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 8' ' ' SER . 1.3 p -46.95 -24.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -80.76 -51.59 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.691 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.48 -38.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.553 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 1.003 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 6.2 tp-100 -74.24 -5.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.843 ' N ' ' O ' ' A' ' 13' ' ' HIS . 4.2 tppt? -75.21 -53.55 8.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' ' C ' ' A' ' 18' ' ' VAL . 1.5 tt -61.53 -54.89 37.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.003 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.52 -53.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 4.1 m-30 -53.76 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.6 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -49.01 -43.0 39.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.778 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -75.01 -40.25 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.11 -19.37 64.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t70 -91.84 -42.33 10.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' ' 21' ' ' ALA . 9.1 p -75.18 100.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.48 29.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.477 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 32.1 t -58.77 -24.87 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 13' ' ' HIS . . . -63.14 -9.39 28.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.3 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 0.727 . . . . 0.0 111.069 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 19.9 pt-20 -45.19 -55.46 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -65.17 -20.7 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.755 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -84.41 -55.51 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.747 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 t-160 -42.77 -33.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.423 1.077 . . . . 0.0 109.653 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.855 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -87.1 -10.49 52.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.755 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -47.3 -66.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -6.51 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.855 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -98.95 -10.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -111.1 -3.03 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -33.25 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.613 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -98.41 -38.99 9.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -77.96 0.6 23.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -112.75 -42.92 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 21' ' ' ALA . 7.4 p -60.12 -58.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.569 ' N ' HG13 ' A' ' 24' ' ' VAL . . . -91.49 6.55 80.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.1 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 1.015 ' O ' HG12 ' A' ' 12' ' ' VAL . 30.9 t -59.24 -30.28 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.068 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -60.12 -9.97 13.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.127 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.82 -62.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.5 pt-20 -45.91 -54.58 7.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.015 HG12 ' O ' ' A' ' 8' ' ' SER . 10.0 p -63.29 -21.77 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.932 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.72 -70.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.535 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.7 t-160 -23.99 -60.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.6 -8.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.235 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.932 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.15 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -149.74 -27.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.2 t -28.86 -74.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.93 -29.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.732 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -80.21 -69.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.671 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -62.98 -56.86 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.08 -38.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -51.81 33.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.671 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.8 m -77.13 136.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . . . 87.43 -40.74 3.08 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 1.035 ' O ' HG12 ' A' ' 12' ' ' VAL . 29.5 t -94.04 -50.22 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.927 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -43.21 -22.2 0.18 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.86 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 111.011 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 7.4 tt0 -43.85 -66.22 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 8' ' ' SER . 12.2 p -52.51 -20.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.912 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.25 -72.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.911 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.8 t-160 -22.45 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -47.44 -9.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.912 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.82 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -149.78 -23.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.6 t -32.85 -73.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.71 -22.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -89.71 -65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 110.958 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -64.47 -32.37 73.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -74.32 -20.21 60.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.8 m-20 -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG13 ' H ' ' A' ' 25' ' ' GLY . 3.8 p -53.1 -61.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.213 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.648 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -62.27 -20.81 61.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.395 1.059 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.0 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.931 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -64.59 -19.17 65.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.043 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.31 -2.27 47.55 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.683 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.41 -60.22 1.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 0.711 . . . . 0.0 111.081 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.683 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 28.0 tt0 -53.4 -72.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.931 HG12 ' O ' ' A' ' 8' ' ' SER . 1.6 p -49.34 -24.0 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.726 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -82.09 -48.74 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.666 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.644 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -43.33 -39.18 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.635 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.825 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.44 -3.25 55.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.726 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.42 -48.78 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.61 -22.13 63.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.825 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.17 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.7 m-85 -51.79 -55.74 18.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.56 -41.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.661 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -92.35 -28.98 16.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.3 mm-40 -79.84 4.29 17.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -117.42 -48.36 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 21' ' ' ALA . 6.3 p -53.65 -59.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.624 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -83.34 -3.83 89.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.751 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.768 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 7' ' ' ASP . 28.1 t -23.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.977 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -41.03 -25.43 0.12 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.14 -139.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 0.812 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.663 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 30.96 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.375 1.047 . . . . 0.0 110.331 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.642 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -43.63 -36.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.884 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.2 -68.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.661 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.4 t-160 -39.3 -29.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.495 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.793 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 2.5 tp60 -87.79 -6.22 58.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 1.133 ' HZ1' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -98.24 -32.35 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.133 HD12 ' HZ1' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -87.67 -11.9 47.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.793 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -47.05 -62.33 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.95 2.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 1.03 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -107.55 -43.03 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.925 -179.885 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.601 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -95.37 -37.76 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -74.95 -2.36 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.29 -50.04 3.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 25' ' ' GLY . 3.9 p -53.63 -64.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.727 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -62.93 -19.75 61.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.586 1.178 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.613 0.831 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' ' C ' ' A' ' 9' ' ' GLY . 31.1 t -44.71 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -5.67 -104.76 0.0 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.759 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -30.69 -70.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 111.052 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 3.7 tp10 -27.34 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 9' ' ' GLY . 2.8 p -38.75 -44.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -59.6 -71.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.639 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.798 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.4 t-160 -28.63 -54.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.615 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.92 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.777 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -21.4 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -130.68 -37.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.798 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -33.35 -64.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -43.77 -24.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.718 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.19 -68.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.68 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -65.64 -49.94 66.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 18' ' ' VAL . 7.3 tp10 -42.52 -35.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -50.19 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.68 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.1 m -78.15 141.06 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.65 -44.05 3.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.449 0.734 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 11' ' ' GLU . 29.9 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -4.63 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.612 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -88.13 5.85 84.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.666 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -173.37 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 110.992 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' ASP . 15.4 tt0 -37.44 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.95 -30.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.976 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -76.11 -69.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.666 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.5 t-160 -27.83 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.964 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -7.48 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.976 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.07 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -122.31 -49.63 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.917 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.964 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -34.07 -38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.624 ' CD2' ' HG2' ' A' ' 15' ' ' GLN . 1.3 t80 -59.07 -57.27 13.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.589 1.181 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.01 -46.53 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -77.8 -32.85 52.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.83 -36.33 67.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.57 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -56.76 -74.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -36.44 -31.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.646 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.58 151.32 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.019 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.27 -31.05 8.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -133.35 -40.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 19.3 tt0 -46.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -45.14 -30.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.183 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.4 m170 -70.21 -70.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t-160 -38.83 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.062 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.754 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 6.0 tp60 -91.35 -8.79 47.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.92 -34.61 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' CB ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -82.31 -21.05 36.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.754 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.65 -47.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -53.69 -29.94 41.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CB ' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.46 -41.62 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -74.61 -66.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.56 -36.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 t0 -70.49 -51.45 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -77.5 134.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . . . 88.59 -40.27 3.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.369 0.688 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -80.2 5.92 13.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.672 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -110.24 16.11 29.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.12 -55.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.607 0.827 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.2 tt0 -30.5 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -46.4 -39.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.929 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -64.87 -71.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.591 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.9 t-160 -31.39 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.8 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -68.07 -4.42 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.929 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -98.45 -31.41 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' CD2' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -94.0 3.7 54.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.8 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -59.98 -84.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CZ ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -38.6 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 111.028 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -68.95 -60.03 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 111.056 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.806 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -79.82 -29.72 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.45 -15.26 63.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.4 m-20 -99.05 -56.17 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' ' 21' ' ' ALA . 9.6 p -58.3 93.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.07 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.31 29.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 6' ' ' HIS . . . -133.84 -138.39 0.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.18 -45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -123.21 -47.56 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -19.27 10.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.637 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 2.6 t60 -102.11 -71.73 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.63 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -37.04 -28.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 6' ' ' HIS . 25.4 t -57.22 156.71 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.59 -26.92 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -138.35 -44.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 0.76 . . . . 0.0 110.983 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tt0 -45.93 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.18 -26.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.869 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -79.73 -72.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.918 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.9 t-160 -18.98 -58.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -42.05 -17.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.869 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -26.41 -49.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -128.05 -31.16 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 14' ' ' HIS . 0.9 OUTLIER -30.78 -61.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.214 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -41.66 -22.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 111.042 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.761 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -98.1 -68.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.739 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -59.96 -26.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.648 ' N ' ' O ' ' A' ' 18' ' ' VAL . 5.4 tm-20 -73.35 -38.19 65.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 109.278 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 21' ' ' ALA . 4.2 p -85.02 125.18 40.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.22 -41.61 3.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -95.56 19.05 11.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.554 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -159.36 -58.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -47.37 -63.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -49.92 -34.74 23.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -62.55 -5.23 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 0.728 . . . . 0.0 109.363 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.442 ' H ' ' C ' ' A' ' 29' ' ' GLY . 43.9 mt -90.99 -24.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.715 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.7 mm -86.25 -176.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.715 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 56.77 -82.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -37.39 -31.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 0.769 . . . . 0.0 109.259 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.665 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -88.98 -48.53 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.931 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 33' ' ' GLY . 2.1 t 65.69 -14.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.665 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 115.65 34.86 1.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.618 1.199 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.41 -108.05 2.98 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 40' ' ' VAL . 53.2 t -55.44 -16.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 47.46 -173.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.74 ' N ' HG13 ' A' ' 40' ' ' VAL . 6.4 mm -42.98 164.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.621 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 24.4 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 78.79 117.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.226 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.588 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.71 11.59 2.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 70.61 -31.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.623 1.202 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 3' ' ' GLU . 3.4 ptm180 -38.86 -40.5 0.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 9.1 t-80 -77.95 -74.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' HIS . 2.1 m-20 -39.74 -60.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.018 ' O ' HG12 ' A' ' 12' ' ' VAL . 36.2 t -44.75 -47.76 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -40.48 -25.87 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.716 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.52 -61.67 1.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.577 0.81 . . . . 0.0 111.006 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.716 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 8.4 tt0 -43.6 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 8' ' ' SER . 12.4 p -51.8 -21.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.838 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.41 -66.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.531 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 1.005 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 t-160 -22.43 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -44.48 -19.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.838 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -29.1 -48.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.2 mt -141.41 -18.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 14' ' ' HIS . 40.5 t -45.86 -66.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -46.16 -16.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.548 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -99.79 -70.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -57.01 -23.41 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tm-20 -79.48 -32.22 42.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -30.37 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.78 -65.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -32.21 -35.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.845 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 26.7 m -88.13 -96.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 0.795 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.706 ' H ' HD11 ' A' ' 31' ' ' ILE . 1.7 m-20 172.87 -84.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -146.08 -78.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -49.22 -42.09 31.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 26' ' ' SER . . . -58.81 -7.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.706 HD11 ' H ' ' A' ' 27' ' ' ASN . 2.6 mp -110.73 -16.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.694 HG23 ' HA ' ' A' ' 36' ' ' VAL . 30.5 mt -135.05 -90.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 45.15 -161.44 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mp -40.38 -36.07 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.662 ' C ' ' H ' ' A' ' 37' ' ' GLY . 1.2 mtt -56.75 -63.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.694 ' HA ' HG23 ' A' ' 32' ' ' ILE . 1.9 t 66.24 -13.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.662 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 158.83 -50.05 0.41 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -143.11 7.52 2.1 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 35' ' ' MET . 0.9 OUTLIER 79.63 -25.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 39' ' ' VAL . 55.5 t -32.9 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -44.65 162.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -128.69 -138.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 80.62 -50.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.8 m-30 -57.86 -29.81 65.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -20.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -63.62 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.29 -33.5 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.023 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -45.1 -49.45 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.942 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -39.8 -25.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -98.19 -60.84 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 110.99 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -43.72 -66.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.023 HG12 ' O ' ' A' ' 8' ' ' SER . 8.8 p -53.43 -20.37 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.231 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.64 -72.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 1.04 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.9 t-160 -23.5 -58.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.385 1.053 . . . . 0.0 109.563 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.46 -9.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.96 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -154.3 -15.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 14' ' ' HIS . 21.5 t -40.69 -69.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -48.72 -16.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -94.7 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -66.1 -27.83 68.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.611 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.8 tm-20 -79.67 -19.93 47.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -87.93 -42.46 12.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG13 ' H ' ' A' ' 25' ' ' GLY . 7.7 p -63.4 -60.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.633 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -71.9 -7.18 65.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -50.22 -36.72 32.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -173.59 -72.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.326 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 27' ' ' ASN . 25.3 mtmt -148.79 93.09 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.723 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 55.7 17.28 13.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 89.26 11.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.621 HG22 ' N ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -35.63 -60.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.621 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER 80.83 -52.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.46 ' N ' HG22 ' A' ' 32' ' ' ILE . . . -43.28 -25.09 0.4 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.441 1.088 . . . . 0.0 111.042 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -61.21 -37.45 83.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.602 0.825 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.35 -13.36 43.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.92 -9.27 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.92 22.36 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -120.31 -107.76 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 40' ' ' VAL . 87.0 t -54.44 -15.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.4 t -161.37 124.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.686 HG22 ' H ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -77.28 -161.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.686 ' H ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.51 77.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -82.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' ARG . 47.0 m-85 -61.17 -31.97 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 4.3 ptm180 -36.09 -38.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.2 t-160 -92.72 -68.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.65 -30.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -34.24 68.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.394 1.059 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -53.18 -16.88 4.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.598 1.186 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.721 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.61 -61.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.618 0.834 . . . . 0.0 111.067 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.721 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 38.4 tt0 -42.48 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' CE ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -45.44 -30.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.24 -52.14 17.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 109.537 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.896 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -46.14 -33.64 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.806 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.45 -4.59 57.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.703 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.69 -46.4 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -81.15 -9.94 59.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -45.04 -62.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.703 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.34 0.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 111.01 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.528 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -108.46 -45.53 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -94.06 -35.85 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.397 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.63 -2.02 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -109.13 -49.46 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.384 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG13 ' H ' ' A' ' 25' ' ' GLY . 5.1 p -52.55 -62.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.687 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -71.3 -14.23 74.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.17 55.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' ASP . 6.3 m-20 -88.54 -87.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.388 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' HG13 ' A' ' 31' ' ' ILE . 10.5 mmtm -139.17 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ILE . . . -83.26 -55.15 2.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.608 1.192 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.69 -10.53 1.64 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.516 0.774 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' GLY . 7.5 mt -41.25 -42.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 35' ' ' MET . 3.5 mp -71.77 -81.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.701 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 40.85 -94.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' ILE . 1.1 mm? -53.71 -23.01 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.573 ' HB3' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -88.59 -11.75 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.923 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.701 HG23 ' CA ' ' A' ' 33' ' ' GLY . 80.9 t -48.62 -21.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -176.14 32.64 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.579 1.174 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.9 -111.48 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' VAL . 59.4 t -63.61 -13.46 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 55.16 167.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.442 ' N ' HG13 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -62.49 155.79 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.56 ' OD2' ' CE1' ' A' ' 6' ' ' HIS . 6.5 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.02 -138.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -127.76 -61.6 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.128 . . . . 0.0 110.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -116.87 -33.16 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.19 5.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.56 ' CE1' ' OD2' ' A' ' 1' ' ' ASP . 15.0 t60 -82.54 -74.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.514 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 173.47 -34.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 5.3 t -46.91 -48.86 21.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -39.66 -26.62 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -96.03 -61.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.98 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 tt0 -40.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.38 -22.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.903 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -83.77 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.8 t-160 -20.92 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.74 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.81 -17.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.903 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.3 tppt? -36.9 -53.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -104.32 -53.93 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -24.5 -43.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.226 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.625 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.22 -60.31 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.93 ' O ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -43.75 -48.27 8.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' HG22 ' A' ' 24' ' ' VAL . . . -74.59 -41.49 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.25 -31.82 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -83.8 -32.25 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.93 HG13 ' O ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -84.38 120.83 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.19 -48.68 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -73.76 -2.53 23.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 23' ' ' ASP . 1.5 m120 -99.18 -93.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 31' ' ' ILE . 6.7 mmtm -116.27 -24.23 8.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.713 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 53.97 15.01 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.607 1.192 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 88.2 14.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 0.802 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 28' ' ' LYS . 4.3 mt -33.41 -45.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -39.95 -53.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.808 ' HA2' HG23 ' A' ' 36' ' ' VAL . . . -51.05 -42.73 48.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.616 ' HB3' HG22 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -55.19 -19.23 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.196 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.463 ' C ' ' N ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -93.48 -9.44 38.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.808 HG23 ' HA2' ' A' ' 33' ' ' GLY . 38.4 t -40.54 -27.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 174.97 32.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.535 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -123.82 -9.33 5.8 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 4.2 t 70.78 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.392 0.701 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.735 HG12 ' N ' ' A' ' 41' ' ' ILE . 2.1 t 61.81 -78.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.735 ' N ' HG12 ' A' ' 40' ' ' VAL . 7.1 mt -44.34 167.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.46 -138.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -162.64 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.582 ' CD1' ' HA3' ' A' ' 9' ' ' GLY . 5.3 m-30 -82.0 -64.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 78.11 -28.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.488 ' H ' ' C ' ' A' ' 4' ' ' PHE . 2.2 t-160 -142.73 -53.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.44 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.966 ' O ' HG12 ' A' ' 12' ' ' VAL . 5.9 t -41.36 -51.23 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.582 ' HA3' ' CD1' ' A' ' 4' ' ' PHE . . . -40.12 -25.55 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.8 -59.44 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.727 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -44.31 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 8' ' ' SER . 7.2 p -45.31 -28.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.875 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -73.05 -72.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.621 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.871 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 t-160 -27.3 -55.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -49.74 -9.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.91 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -150.63 -30.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.871 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -28.51 -73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.212 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -24.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.789 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.19 -69.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.924 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -60.0 -43.4 95.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 18' ' ' VAL . 11.2 tp10 -54.46 -30.63 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 6.3 t0 -80.53 -47.25 14.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -91.46 -77.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.9 -31.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -129.85 57.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 3.9 t-20 -69.72 -39.29 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.633 ' HA ' HD12 ' A' ' 31' ' ' ILE . 12.8 mmmt -46.47 -43.4 16.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -85.23 -35.36 12.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . . . -66.39 -2.64 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -72.35 -24.41 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.452 HG23 ' HA ' ' A' ' 36' ' ' VAL . 3.7 mm -85.13 -92.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' LEU . . . 40.14 -160.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.405 1.066 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -39.5 -36.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.666 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.6 mtt -54.57 -60.93 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.452 ' HA ' HG23 ' A' ' 32' ' ' ILE . 2.1 t 65.57 -13.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.666 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 159.02 -50.62 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . -142.64 6.88 2.18 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 35' ' ' MET . 1.1 t 78.62 -24.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.508 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -32.84 137.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.415 ' CG1' ' H ' ' A' ' 42' ' ' ALA . 1.5 tt -64.3 -174.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' H ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.345 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.673 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 1' ' ' ASP . . . 165.15 95.47 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.398 1.061 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.655 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -132.91 6.02 3.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 1.6 m-85 66.71 -22.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.655 ' H ' ' C ' ' A' ' 3' ' ' GLU . 4.5 ttt85 -109.64 -15.08 14.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.22 -36.44 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.705 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -136.76 86.68 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -149.01 -50.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.953 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.557 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -80.82 27.47 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.557 ' CG ' ' C ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -175.49 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 7' ' ' ASP . 2.7 tt0 -56.25 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.3 p -49.61 -23.69 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 109.387 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.817 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -78.31 -72.47 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.689 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.689 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.2 t-160 -31.19 -51.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.553 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.792 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -49.27 -20.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.817 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.2 tppt? -24.5 -53.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -110.86 -55.14 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.591 1.182 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -26.92 -46.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.4 t80 -54.65 -58.94 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -43.97 -40.36 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -86.14 -28.92 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.16 -10.25 59.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLY . 2.6 t0 -101.9 -46.07 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 21' ' ' ALA . 13.5 p -57.8 85.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 32.64 33.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.659 ' OG ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t 57.99 58.24 3.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' HB2' ' CG1' ' A' ' 24' ' ' VAL . 1.2 m-20 -36.33 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.937 ' HA ' HD12 ' A' ' 31' ' ' ILE . 5.8 mmmt -140.1 -45.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.624 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -45.8 -49.27 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.659 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -58.26 -9.94 1.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 0.734 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 28' ' ' LYS . 8.8 mt -105.64 7.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 29' ' ' GLY . 4.7 mt -46.51 -26.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.849 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -44.71 -27.72 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -53.51 -20.03 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.536 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -90.73 2.69 55.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.0 m -41.95 -33.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.96 -32.89 22.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.578 1.174 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 35' ' ' MET . . . -92.84 -105.73 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' VAL . 3.6 t -51.23 -16.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.815 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER 58.09 160.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.749 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.2 tt -56.04 -166.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.749 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.72 -136.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -176.62 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -57.82 -31.19 66.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 6' ' ' HIS . 1.3 ptt180 -70.35 -33.19 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -83.35 -32.94 25.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.629 1.206 . . . . 0.0 109.541 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.545 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 1.2 m-20 -36.89 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER 69.91 -46.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.872 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.69 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -79.72 18.38 7.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.6 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 15.7 pt-20 -37.56 -53.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.358 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 8.8 p -66.27 -40.02 85.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -64.82 -67.29 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.577 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.967 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.5 t-160 -33.61 -50.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.675 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.642 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -47.72 -19.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.715 ' N ' ' O ' ' A' ' 13' ' ' HIS . 8.7 tppt? -24.82 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -139.46 -20.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 14' ' ' HIS . 24.9 t -47.32 -64.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.55 -15.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -100.06 -70.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.909 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -59.38 -20.04 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.208 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.599 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 9.3 tm-20 -82.44 -27.81 31.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t70 -82.19 -31.84 30.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.3 -55.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -84.43 28.24 4.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER 176.77 41.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 5.5 t-20 -74.38 -38.56 63.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 4.6 mmtt -43.74 -61.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -56.23 -33.83 61.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.451 1.095 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -61.22 -6.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 0.79 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 28' ' ' LYS . 34.5 mt -85.33 -24.67 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.675 HG22 ' CG2' ' A' ' 36' ' ' VAL . 94.4 mt -54.86 -102.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.631 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 39.38 -93.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -52.54 -25.7 11.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.63 ' SD ' HD11 ' A' ' 41' ' ' ILE . 2.5 ttt -83.94 -13.08 54.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.675 ' CG2' HG22 ' A' ' 32' ' ' ILE . 96.0 t -54.29 -16.76 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -169.59 29.82 0.14 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.54 -111.19 3.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' VAL . 84.8 t -64.54 -13.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 40' ' ' VAL . 1.7 t 36.68 88.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.64 HD13 ' N ' ' A' ' 41' ' ' ILE . 2.6 mm -57.8 158.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.77 -138.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.582 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 2.2 tp10 -117.39 -10.1 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 167.05 -45.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -21.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.568 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -109.98 -55.0 2.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.395 1.059 . . . . 0.0 109.645 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -42.97 -23.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.478 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.3 t -71.42 7.84 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.618 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.84 6.62 52.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.607 1.192 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.737 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -173.16 -35.59 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.5 pt-20 -35.08 -53.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 7.3 p -67.15 -38.43 81.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.878 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -72.82 -62.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 0.0 109.508 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.729 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.4 t-160 -25.01 -56.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.739 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.64 -17.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.878 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.2 tppt? -37.78 -53.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 19' ' ' PHE . 2.4 tt -103.54 -55.27 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.58 -45.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -52.68 -59.02 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -44.85 -51.84 9.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.86 -32.95 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -60.89 -29.52 69.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.76 -45.9 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.49 -76.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -36.97 -29.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.523 ' C ' HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -131.83 62.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 0.0 110.013 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' A' ' 24' ' ' VAL . 4.4 m-80 -65.54 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -138.45 -48.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -48.68 -55.17 11.55 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 -8.28 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.374 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.583 ' C ' HG23 ' A' ' 32' ' ' ILE . 4.9 mp -118.68 6.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG23 ' C ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER 58.31 139.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.545 ' N ' HD12 ' A' ' 32' ' ' ILE . . . -158.79 -82.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -39.06 -30.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 0.805 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.689 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -82.55 -46.58 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 68.03 -20.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.689 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 115.81 4.51 19.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.58 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -122.51 -5.16 8.65 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t 73.39 -10.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.633 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 52.06 177.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.749 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 34.92 -146.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.749 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.64 -138.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.585 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.31 10.94 2.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 69.77 -29.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.585 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -48.75 -22.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -90.66 -31.93 16.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' PHE . 3.0 m-20 66.71 4.84 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.44 151.75 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.066 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.66 -11.93 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -117.2 -57.29 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.705 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 3.9 tt0 -59.71 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -57.55 -22.26 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.78 -69.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.9 t-160 -21.83 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.559 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.749 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.9 tp-100 -45.76 -17.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.904 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.8 tppt? -37.05 -54.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.3 tt -104.14 -55.09 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.749 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.37 -44.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -51.84 -59.16 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -46.1 -47.91 17.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 111.077 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.716 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -75.46 -29.51 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.6 tm-20 -67.7 -26.79 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.222 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 2.0 t0 -82.49 -8.43 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.214 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -120.18 -76.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -49.49 -21.14 2.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -133.58 58.94 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.387 0.698 . . . . 0.0 110.034 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -171.43 -51.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.399 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.619 ' O ' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -48.03 -48.14 33.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.604 ' O ' HG22 ' A' ' 32' ' ' ILE . . . -77.34 -36.01 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.36 -2.68 4.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 0.816 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 28' ' ' LYS . 23.5 mt -53.42 -50.78 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.757 HD12 ' H ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -39.51 158.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.757 ' H ' HD12 ' A' ' 32' ' ' ILE . . . 67.75 -59.51 0.34 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.21 -38.42 89.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 0.823 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 37' ' ' GLY . 19.8 mmt -104.94 0.87 28.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG23 HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -42.97 -27.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 109.382 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.614 ' HA2' HD13 ' A' ' 41' ' ' ILE . . . -124.85 37.57 2.55 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.398 1.061 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -132.89 -107.88 1.06 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.5 t -55.35 -13.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.4 t -159.48 115.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD13 ' HA2' ' A' ' 37' ' ' GLY . 26.7 mm -79.02 2.04 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.473 1.108 . . . . 0.0 109.212 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' H ' HG12 ' A' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 -137.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.598 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.4 tp10 -118.39 -7.81 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 166.04 -45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -21.21 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -106.93 -52.86 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.545 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -43.45 -23.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 11' ' ' GLU . 2.6 t -70.4 6.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.624 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -102.56 7.36 53.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.738 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -174.96 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.59 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 11.1 pt-20 -37.68 -53.58 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.59 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 13.1 p -66.12 -35.92 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.945 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -74.16 -64.16 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.4 t-160 -31.3 -47.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.54 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.941 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.26 -7.71 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.945 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -25.39 -45.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.661 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -121.08 -49.83 2.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -33.5 -38.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD2' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t80 -59.03 -57.97 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -45.06 -39.41 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.819 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -86.25 -28.32 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -70.51 -26.47 63.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -25.08 24.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.819 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -97.0 120.56 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.36 -35.2 3.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.19 33.52 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -168.1 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -71.16 -40.45 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.686 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -44.01 -22.19 0.29 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 29' ' ' GLY . . . 163.95 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER 70.16 1.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.664 ' CG2' HG23 ' A' ' 36' ' ' VAL . 63.5 mt -77.19 -91.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . 34.75 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -43.73 -35.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -89.24 -26.48 21.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG23 ' CG2' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -40.08 -27.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.487 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -48.02 -50.32 21.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.588 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -156.08 -8.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 40' ' ' VAL . 71.9 t 74.52 -7.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.444 0.732 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 39' ' ' VAL . 11.1 t -163.72 110.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.734 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 35.32 -146.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.734 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -104.19 -136.85 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 4.8 tp10 90.12 -25.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 110.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' SER . 22.2 m-85 -116.42 -25.17 7.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -47.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 8' ' ' SER . 2.6 t-80 -130.1 -50.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -42.86 -27.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.528 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 26.4 t -51.08 -26.45 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.17 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.97 -10.48 33.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.386 1.053 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.707 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -106.04 -61.75 1.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.499 0.764 . . . . 0.0 111.056 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.707 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 1.4 pp20? -43.5 -55.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -64.63 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -73.66 -51.49 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.869 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -46.27 -34.0 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.787 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.4 -3.78 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.5 tppt? -100.32 -45.78 5.48 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 ' HB3' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.38 -15.48 57.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -44.62 -56.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 3.2 m-85 -58.28 -10.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.739 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -104.49 -44.67 4.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -80.41 -50.73 9.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 1.2 tp10 -58.08 -21.19 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 2.0 t70 -87.32 -23.74 24.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 21' ' ' ALA . 1.9 p -108.0 118.79 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 30' ' ' ALA . . . 68.18 4.98 39.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.74 ' HA ' HD11 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -138.2 24.04 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.939 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 4.2 m-20 -88.01 -87.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CA ' HG12 ' A' ' 31' ' ' ILE . 9.9 mttt -139.44 -56.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 31' ' ' ILE . . . -47.71 -63.94 3.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' CB ' ' HA2' ' A' ' 25' ' ' GLY . . . -56.91 -12.52 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.74 HD11 ' HA ' ' A' ' 26' ' ' SER . 2.0 mm -90.48 -23.55 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -75.96 -47.93 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.516 ' HA2' ' CG2' ' A' ' 36' ' ' VAL . . . -56.81 -19.29 28.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.53 1.144 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 34' ' ' LEU . 8.3 tp -74.0 -23.74 59.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -110.89 -11.03 14.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.516 ' CG2' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -50.48 -20.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 178.18 29.31 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.089 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -122.13 -13.6 4.85 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 5.3 t 68.98 -1.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 38' ' ' GLY . 1.1 t 73.12 123.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.542 HG22 HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -87.62 150.86 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . -115.55 -138.12 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 2.9 tp10 82.0 -48.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -54.19 -29.8 47.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 26.2 ptt85 -39.69 -40.82 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.488 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.2 t-160 -53.78 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' GLY . 1.9 m-20 -39.29 -68.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.1 t 47.05 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -34.54 -29.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.75 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -83.26 -61.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 111.042 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.75 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.4 pt-20 -46.67 -52.05 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.554 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 4.0 p -64.69 -20.58 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -86.17 -68.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.503 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.74 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.5 t-160 -22.44 -55.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.639 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.728 ' CA ' HG23 ' A' ' 18' ' ' VAL . 1.6 tp-100 -45.97 -17.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 2.2 tppt? -36.96 -54.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -103.79 -54.04 2.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.74 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -24.16 -43.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.6 -59.63 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -45.57 -38.48 6.53 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -85.31 -32.2 22.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.173 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -75.88 -8.65 57.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.903 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 1.2 t0 -101.06 -50.98 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.681 HG13 ' H ' ' A' ' 25' ' ' GLY . 4.7 p -51.35 -61.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.681 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -68.52 -16.07 69.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -126.93 54.88 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.92 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ASP . 22.0 t-20 -45.95 -26.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' ILE . 20.3 mmtm -46.81 -50.15 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.786 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -71.9 -36.16 61.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.903 ' HB2' ' CG ' ' A' ' 23' ' ' ASP . . . -68.16 -1.42 6.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.207 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 9.3 mm -53.96 -41.11 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -86.73 -160.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.643 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 57.42 144.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.967 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER 78.02 -23.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.349 0.676 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' GLY . 13.5 mtt -132.51 3.6 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.896 ' HB ' HD11 ' A' ' 41' ' ' ILE . 12.5 t -33.96 -32.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 35' ' ' MET . . . -151.06 -65.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.727 ' C ' HG23 ' A' ' 39' ' ' VAL . . . -144.76 8.65 1.79 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 34' ' ' LEU . 3.9 t 89.18 -22.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.234 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' ILE . 72.0 t -33.09 -87.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.896 HD11 ' HB ' ' A' ' 36' ' ' VAL . 9.4 mt 20.82 -129.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.622 1.201 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.638 ' HB2' ' CD2' ' A' ' 6' ' ' HIS . . . 62.71 109.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -115.26 -18.96 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 162.58 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -35.5 -47.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.638 ' CD2' ' HB2' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -62.74 -75.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.763 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -25.12 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 6' ' ' HIS . 1.9 t -53.91 127.17 25.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.7 -7.42 15.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.081 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -163.83 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 111.015 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 0.6 OUTLIER -61.28 -65.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.79 -25.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.891 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -80.54 -69.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.697 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 1.016 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.8 t-160 -25.13 -57.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.4 -9.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.25 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -154.65 -14.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.016 HG23 ' O ' ' A' ' 14' ' ' HIS . 21.6 t -40.38 -72.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.85 -19.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -95.1 -70.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' LEU . . . -58.81 -29.72 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 3.5 tm-20 -70.54 -31.04 67.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.594 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -78.69 -40.78 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.333 1.02 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -94.41 -72.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -35.39 -31.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -41.03 -27.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.097 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER 71.36 -60.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.816 ' CA ' HD12 ' A' ' 31' ' ' ILE . 6.5 mmtt -144.61 -36.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.758 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 82.6 16.8 69.9 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.398 1.061 . . . . 0.0 111.013 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 90.46 12.4 0.05 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.816 HD12 ' CA ' ' A' ' 28' ' ' LYS . 3.8 mt -27.43 -53.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 35' ' ' MET . 6.0 mt -68.0 -78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.734 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 41.39 -94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.1 tp -54.46 -21.29 9.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.532 ' HB3' HG23 ' A' ' 32' ' ' ILE . 3.9 mtt -91.53 -10.9 39.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.734 HG23 ' CA ' ' A' ' 33' ' ' GLY . 70.4 t -44.86 -24.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 172.32 36.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.4 -111.17 2.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 40' ' ' VAL . 54.9 t -63.2 -13.48 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.573 0.808 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -32.73 -40.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.351 1.032 . . . . 0.0 109.236 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 4.1 tt -47.47 164.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.31 -136.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -171.68 -47.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -47.18 -30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -48.18 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.638 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.83 -41.32 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.923 ' O ' HG12 ' A' ' 12' ' ' VAL . 11.8 t -46.32 -46.88 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -41.85 -24.2 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.711 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.21 -61.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 111.052 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.711 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 3.3 tt0 -42.18 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 8' ' ' SER . 10.9 p -51.71 -22.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.898 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.57 -69.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.739 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.2 t-160 -21.08 -55.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.734 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.61 -16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.898 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.4 tppt? -41.45 -53.73 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.973 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -101.09 -55.73 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.752 HG12 ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -22.48 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -43.15 -46.58 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -86.0 -41.94 14.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.732 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -77.65 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.752 ' CG ' HG12 ' A' ' 18' ' ' VAL . 2.8 tm-20 -35.05 -40.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -60.13 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.4 p -65.14 126.87 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.08 -45.05 3.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -103.3 35.71 2.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.063 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.811 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -83.5 -49.69 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.881 ' O ' HD12 ' A' ' 31' ' ' ILE . 29.8 mmtm -46.1 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -44.12 -32.37 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.811 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -54.36 -11.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.881 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.5 mp -78.18 -15.63 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.777 HG22 ' N ' ' A' ' 33' ' ' GLY . 64.5 mt 38.7 -97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.777 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 34.01 86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.433 1.083 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HB3' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER 48.74 20.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.361 0.683 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 53.93 14.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 111.079 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.7 t -57.61 -19.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.14 -2.09 61.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 40' ' ' VAL . . . -120.6 -109.47 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.25 -17.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER 56.24 174.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.746 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.5 tp -56.07 -166.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.746 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.599 ' OD2' ' CD2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.19 46.36 23.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -175.54 -50.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CD2' ' OD2' ' A' ' 1' ' ' ASP . 6.9 m-30 -43.14 -33.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 1.5 ptp85 -39.2 -40.42 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -102.21 -50.96 3.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -45.94 -23.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 6' ' ' HIS . 18.6 t -69.59 0.56 5.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.655 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -95.88 7.81 67.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.661 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -175.78 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.606 0.827 . . . . 0.0 111.01 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.61 ' HG3' ' HB2' ' A' ' 42' ' ' ALA . 2.6 tt0 -39.81 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.5 p -45.16 -26.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.827 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -75.87 -75.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.587 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.761 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.0 t-160 -29.4 -52.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.635 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.842 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.6 -17.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.827 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.62 -45.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.594 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -122.36 -50.07 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -28.21 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -55.24 -58.96 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.661 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -44.06 -47.11 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -77.43 -34.5 54.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.44 -33.31 63.48 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -65.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -48.75 -71.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 1.086 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -33.24 -37.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.718 ' O ' HD13 ' A' ' 31' ' ' ILE . 2.6 m -85.18 43.45 1.01 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 0.828 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -64.58 -68.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' CA ' HG12 ' A' ' 31' ' ' ILE . 17.0 mmtt -138.8 -46.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -76.21 -69.9 1.34 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.086 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -65.14 2.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -31.08 -59.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.368 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.683 HG22 ' N ' ' A' ' 33' ' ' GLY . 2.7 mt -135.85 -77.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.683 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 44.33 -90.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 32' ' ' ILE . 5.3 tp -53.42 -19.02 3.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.56 ' CB ' HG23 ' A' ' 32' ' ' ILE . 2.9 mtm -91.26 -4.75 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 33' ' ' GLY . 3.0 t -48.86 -22.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -72.37 -29.07 66.71 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.479 1.112 . . . . 0.0 111.061 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.719 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . 125.94 76.81 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.474 ' CA ' ' HG2' ' A' ' 35' ' ' MET . 2.9 t 66.82 -24.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.719 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER 58.63 112.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 42' ' ' ALA . 42.5 mm -61.1 167.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.61 ' HB2' ' HG3' ' A' ' 11' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.64 -138.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.59 -51.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' O ' ' OG ' ' A' ' 8' ' ' SER . 73.9 m-85 -114.76 -31.91 5.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.95 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -8.79 30.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 110.191 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -86.47 -77.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.634 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.653 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -28.97 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.66 122.4 14.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.8 -5.0 9.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -164.34 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 4.1 tt0 -58.24 -67.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -53.98 -27.77 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.212 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.905 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -78.73 -68.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.724 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.3 t-160 -21.5 -56.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.741 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.2 tp-100 -45.49 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.905 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -38.14 -53.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.6 tt -103.89 -55.1 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.741 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.33 -45.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.9 t80 -52.2 -59.4 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.09 -50.3 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 111.049 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -73.33 -34.35 65.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.05 -25.39 63.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -46.17 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.89 -74.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -39.76 -26.75 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -34.32 -56.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.538 ' C ' ' HG2' ' A' ' 28' ' ' LYS . 30.6 t-20 78.06 -54.77 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG2' ' C ' ' A' ' 27' ' ' ASN . 13.3 mmmt -151.06 92.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.791 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 48.2 32.3 9.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 99.41 -21.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 31' ' ' ILE . 1.6 tt 40.5 26.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.629 HG13 ' HB1' ' A' ' 30' ' ' ALA . 1.4 pp -128.09 -54.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' HD12 ' A' ' 32' ' ' ILE . . . -49.6 -41.01 33.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -29.54 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 0.808 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.493 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -99.33 -9.85 23.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.092 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ILE . 4.4 t -63.73 -11.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.26 16.47 1.89 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.61 -110.67 2.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.612 0.831 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' VAL . 61.9 t -95.62 -13.95 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.724 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER 51.97 176.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.611 ' N ' HG13 ' A' ' 40' ' ' VAL . 1.4 mp -51.79 166.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HB3' ' CD2' ' A' ' 6' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 6' ' ' HIS . . . -109.14 -137.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 4' ' ' PHE . 2.8 mm-40 -119.7 -34.65 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 3' ' ' GLU . 39.8 m-85 -157.06 -43.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -20.48 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.566 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 2.4 t60 -66.85 -77.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -149.05 -38.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.19 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.038 ' O ' HG12 ' A' ' 12' ' ' VAL . 14.5 t -49.59 -41.47 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -46.16 -21.2 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.704 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -100.04 -62.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.704 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 11.7 tt0 -44.51 -65.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.038 HG12 ' O ' ' A' ' 8' ' ' SER . 11.0 p -52.97 -20.74 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.853 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -86.95 -67.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.636 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 1.046 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.6 t-160 -22.78 -53.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.8 -17.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.212 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.853 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.6 tppt? -35.49 -52.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.881 ' CD1' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -132.62 -17.8 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.198 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 14' ' ' HIS . 18.3 t -55.59 -11.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -108.36 0.87 21.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.599 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -126.92 -42.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.881 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -88.89 -9.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 4.0 tm-20 -97.72 -25.99 14.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -5.55 57.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.75 -102.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.71 -26.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -108.41 48.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -45.31 -49.64 12.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' CB ' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -154.85 95.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.772 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 56.22 15.81 12.12 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 93.32 7.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 0.828 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.494 HD12 ' CB ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -37.53 -45.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 109.294 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.585 HG22 ' N ' ' A' ' 33' ' ' GLY . 19.0 mt -86.07 -106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.585 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 57.08 148.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.949 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 73.72 -22.78 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.713 ' C ' ' H ' ' A' ' 37' ' ' GLY . 16.2 mtt -121.45 -37.2 2.94 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.548 1.155 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.457 ' H ' HG22 ' A' ' 32' ' ' ILE . 2.6 t 63.49 -13.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.713 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 120.68 35.92 0.81 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.596 ' O ' HG22 ' A' ' 41' ' ' ILE . . . -104.01 -107.27 3.17 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' C ' ' N ' ' A' ' 41' ' ' ILE . 7.1 t -53.13 -16.58 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.791 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG11 ' HA2' ' A' ' 37' ' ' GLY . 7.9 p -38.5 -30.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -47.99 161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.17 33.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.625 ' O ' ' CD2' ' A' ' 6' ' ' HIS . 0.8 OUTLIER -146.51 -83.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 8' ' ' SER . 7.7 m-30 -37.19 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -37.79 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -64.86 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.564 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 31.6 t -68.71 1.11 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.628 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -96.23 6.1 65.91 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -174.28 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 0.69 . . . . 0.0 111.042 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 7' ' ' ASP . 13.2 tt0 -34.62 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -47.66 -35.11 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.842 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -72.69 -68.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.772 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 t-160 -20.42 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.661 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.796 ' CA ' HG23 ' A' ' 18' ' ' VAL . 2.1 tp-100 -41.71 -20.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.842 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -32.62 -57.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 19' ' ' PHE . 1.4 tt -105.58 -53.29 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG23 ' CA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -24.08 -43.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.649 ' N ' ' O ' ' A' ' 17' ' ' LEU . 2.1 t80 -53.17 -59.28 4.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.671 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.65 -47.64 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -76.47 -30.24 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -59.92 -36.18 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.5 OUTLIER -69.67 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -57.22 -60.45 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.02 -27.87 15.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 2.4 m -73.18 -4.51 33.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.038 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.763 HD22 ' N ' ' A' ' 28' ' ' LYS . 1.1 t30 -55.07 -84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.763 ' N ' HD22 ' A' ' 27' ' ' ASN . 7.7 mmpt? 64.07 101.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' O ' HD12 ' A' ' 32' ' ' ILE . . . 155.89 -42.82 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.46 2.96 8.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 0.739 . . . . 0.0 109.346 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 mp -99.92 5.18 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.711 HG22 ' N ' ' A' ' 33' ' ' GLY . 8.2 mt -42.14 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.835 ' O ' HG22 ' A' ' 36' ' ' VAL . . . 40.48 -94.31 0.01 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -53.41 -21.04 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.615 0.832 . . . . 0.0 109.253 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' GLY . 3.1 mtm -100.91 3.36 41.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.9 m -34.3 -36.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.692 ' HA2' HG11 ' A' ' 40' ' ' VAL . . . 178.41 35.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.617 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -106.23 -110.83 3.52 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 40' ' ' VAL . 75.2 t -65.82 -13.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.581 0.812 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.736 HG13 ' H ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -34.17 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.736 ' H ' HG13 ' A' ' 40' ' ' VAL . 1.2 mp -55.95 158.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.59 68.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.366 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.558 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 1.4 tt0 -103.51 -24.16 13.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' ASP . 5.2 m-85 -116.05 -28.08 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -26.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -103.01 -26.47 13.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 6' ' ' HIS . 11.7 p-10 25.97 79.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.432 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 t -154.96 -48.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.97 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.539 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -81.81 25.8 3.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -173.18 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -52.74 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 ' CE ' ' A' ' 16' ' ' LYS . 1.8 p -47.47 -33.33 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.734 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -71.01 -55.12 8.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.646 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 t-160 -41.9 -38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.809 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.09 -1.58 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.734 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -99.24 -50.08 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.79 -12.03 57.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.809 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.15 -77.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.226 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -41.98 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.649 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.44 -65.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -70.52 -34.91 72.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 tp10 -57.27 -25.41 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -86.82 -63.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -61.55 -67.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.865 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -56.59 -15.52 12.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -145.8 70.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.86 ' O ' HD12 ' A' ' 31' ' ' ILE . 56.8 t-20 -98.16 -108.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -92.58 -51.11 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' N ' ' CG ' ' A' ' 28' ' ' LYS . . . -90.59 -45.81 4.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.865 ' HB1' ' O ' ' A' ' 25' ' ' GLY . . . -62.28 -4.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.734 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -36.75 -35.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.585 HG23 ' HB3' ' A' ' 35' ' ' MET . 95.9 mt -53.35 -81.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.696 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 40.67 -94.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.56 -23.3 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.406 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.585 ' HB3' HG23 ' A' ' 32' ' ' ILE . 1.3 mtt -87.75 -12.3 45.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.696 HG23 ' CA ' ' A' ' 33' ' ' GLY . 89.8 t -49.36 -21.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 172.74 36.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.54 -111.32 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 40' ' ' VAL . 61.7 t -62.99 -13.45 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -31.71 137.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 42' ' ' ALA . 1.6 mp -47.05 165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 6' ' ' HIS . . . 64.28 105.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.58 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 mt-10 -123.19 -2.0 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 165.76 -49.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -58.6 -42.32 87.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -93.38 -48.0 6.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.379 1.049 . . . . 0.0 109.502 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 23.9 t70 -40.17 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.408 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -44.86 -39.42 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.929 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 13' ' ' HIS . . . -48.13 -21.51 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -99.25 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 111.022 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.701 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 2.6 tt0 -41.09 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 8' ' ' SER . 1.3 p -46.95 -24.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -80.76 -51.59 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.691 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.48 -38.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.553 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 1.003 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 6.2 tp-100 -74.24 -5.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.843 ' N ' ' O ' ' A' ' 13' ' ' HIS . 4.2 tppt? -75.21 -53.55 8.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' ' C ' ' A' ' 18' ' ' VAL . 1.5 tt -61.53 -54.89 37.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.003 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -23.52 -53.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 4.1 m-30 -53.76 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.6 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -49.01 -43.0 39.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.778 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -75.01 -40.25 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.11 -19.37 64.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.2 t70 -91.84 -42.33 10.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' ' 21' ' ' ALA . 9.1 p -75.18 100.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.48 29.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.1 t 51.98 19.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLY . 28.9 t-20 175.93 -95.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' HG3' HG22 ' A' ' 24' ' ' VAL . 6.5 mmmt 71.44 -46.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' ASN . . . -38.11 -59.75 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.565 1.166 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.82 ' HB3' HG12 ' A' ' 32' ' ' ILE . . . -130.82 -4.75 4.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER 61.38 10.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.82 HG12 ' HB3' ' A' ' 30' ' ' ALA . 11.6 mm -38.42 -31.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.496 ' HA2' ' CG2' ' A' ' 36' ' ' VAL . . . -48.26 -22.8 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.573 1.171 . . . . 0.0 111.048 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -65.09 -28.32 69.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.44 -15.83 16.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.917 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' HA2' ' A' ' 33' ' ' GLY . 89.9 t -63.94 -11.13 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.24 35.31 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.68 -111.46 2.36 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' VAL . 93.1 t -62.76 -13.71 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 53.91 171.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.773 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.1 tt 39.1 -162.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.773 ' N ' HG23 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.684 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . . . -138.58 -159.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.655 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 3.4 tt0 100.58 -10.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.684 ' CZ ' ' HA ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -30.62 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -37.59 -39.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.469 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 2.1 t60 -81.62 -72.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.2 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.477 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 32.1 t -58.77 -24.87 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 13' ' ' HIS . . . -63.14 -9.39 28.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.706 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.3 -61.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 0.727 . . . . 0.0 111.069 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.706 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 19.9 pt-20 -45.19 -55.46 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -65.17 -20.7 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.755 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -84.41 -55.51 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.747 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 t-160 -42.77 -33.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.423 1.077 . . . . 0.0 109.653 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.855 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -87.1 -10.49 52.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.755 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -47.3 -66.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -6.51 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.855 ' CG2' ' HA ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -98.95 -10.16 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -111.1 -3.03 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -33.25 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.613 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -98.41 -38.99 9.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -77.96 0.6 23.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -112.75 -42.92 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 21' ' ' ALA . 7.4 p -60.12 -58.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.569 ' N ' HG13 ' A' ' 24' ' ' VAL . . . -91.49 6.55 80.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.1 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -148.84 44.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.821 ' O ' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -82.93 -78.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.399 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' O ' HG22 ' A' ' 31' ' ' ILE . 8.3 mmtm -139.44 -50.97 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.386 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.38 -72.53 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.4 -12.76 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -50.07 -23.6 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.212 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.608 HG22 ' H ' ' A' ' 33' ' ' GLY . 8.0 mt -87.16 173.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.608 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 67.36 -58.82 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -37.26 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.717 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.8 mtp -82.97 -50.88 8.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 66.14 -22.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.223 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.717 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 161.92 -42.01 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.567 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . -147.33 10.71 1.32 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 1.4 t 74.43 -20.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.199 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 40' ' ' VAL . 1.3 t 40.95 92.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 41' ' ' ILE . 14.4 mm -79.64 2.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.973 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.92 29.19 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -115.71 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 3' ' ' GLU . 39.8 m-85 -162.14 -41.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -18.56 61.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -50.03 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.582 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -53.8 -41.46 67.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.015 ' O ' HG12 ' A' ' 12' ' ' VAL . 30.9 t -59.24 -30.28 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.068 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -60.12 -9.97 13.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.127 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.82 -62.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 9.5 pt-20 -45.91 -54.58 7.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.015 HG12 ' O ' ' A' ' 8' ' ' SER . 10.0 p -63.29 -21.77 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.932 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.72 -70.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.535 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.7 t-160 -23.99 -60.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.6 -8.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.235 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.932 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -29.15 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -149.74 -27.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.2 t -28.86 -74.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -44.93 -29.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.732 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -80.21 -69.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.671 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -62.98 -56.86 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.08 -38.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -51.81 33.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.671 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.8 m -77.13 136.48 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . 87.43 -40.74 3.08 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -36.84 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.807 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.1 m-20 158.31 121.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -37.94 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.916 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -41.91 -33.49 1.16 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.431 1.082 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -59.56 -5.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 0.706 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.58 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.9 mp -121.71 6.56 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.401 1.063 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.654 HG22 ' H ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -141.91 -160.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.654 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 37.75 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ILE . 1.1 tp -48.72 -24.45 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' GLY . 1.5 mtt -99.18 -21.57 16.06 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.549 HG23 HG22 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -55.44 -15.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.25 -36.95 58.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.992 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -178.09 -105.15 0.19 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.8 t 49.16 -25.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.992 ' N ' ' O ' ' A' ' 38' ' ' GLY . 53.3 t -32.95 -83.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 42' ' ' ALA . 3.8 mt -52.24 166.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.364 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.569 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 6.9 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 75.45 75.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -144.65 -70.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.622 1.201 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.585 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 94.6 m-85 -41.93 -69.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 74.85 -36.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -121.7 -20.12 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER 69.4 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.035 ' O ' HG12 ' A' ' 12' ' ' VAL . 29.5 t -94.04 -50.22 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.927 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -43.21 -22.2 0.18 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -97.86 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 111.011 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.708 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 7.4 tt0 -43.85 -66.22 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 8' ' ' SER . 12.2 p -52.51 -20.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.912 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.25 -72.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.911 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.8 t-160 -22.45 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -47.44 -9.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.912 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -28.82 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -149.78 -23.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.6 t -32.85 -73.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -45.71 -22.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -89.71 -65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 110.958 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . . . -64.47 -32.37 73.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -74.32 -20.21 60.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.8 m-20 -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.648 HG13 ' H ' ' A' ' 25' ' ' GLY . 3.8 p -53.1 -61.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.213 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.648 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -62.27 -20.81 61.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.395 1.059 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -49.26 -61.48 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.0 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 26' ' ' SER . 61.7 t30 71.74 -52.39 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 11.9 mmtt -40.27 -60.64 1.03 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -64.18 -34.41 89.85 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . . . -68.03 -0.97 4.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.241 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.2 mt -108.5 -14.96 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.663 HG22 ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER 68.95 -64.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.663 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 23.3 -134.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.56 1.162 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -77.09 11.01 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.223 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.863 ' SD ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 63.99 14.01 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 40' ' ' VAL . 38.6 t -51.58 -22.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' HA3' ' N ' ' A' ' 29' ' ' GLY . . . -73.24 -1.73 57.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.401 1.063 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' A' ' 40' ' ' VAL . . . -115.74 -65.43 0.39 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.863 HG23 ' SD ' ' A' ' 35' ' ' MET . 59.5 t -49.46 -11.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 36' ' ' VAL . 39.1 t -25.78 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.485 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.1 mp -58.78 157.09 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.991 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 38.1 p-10 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 1' ' ' ASP . . . 175.41 122.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.03 -44.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 110.232 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' C ' ' N ' ' A' ' 6' ' ' HIS . 8.4 m-85 -94.11 -62.22 1.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 47.23 16.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 4' ' ' PHE . 3.9 t60 -131.22 -63.8 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -82.47 -49.14 10.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.931 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -64.59 -19.17 65.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.043 179.919 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.31 -2.27 47.55 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.683 ' CD2' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -111.41 -60.22 1.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 0.711 . . . . 0.0 111.081 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.683 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 28.0 tt0 -53.4 -72.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.931 HG12 ' O ' ' A' ' 8' ' ' SER . 1.6 p -49.34 -24.0 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.726 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -82.09 -48.74 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.666 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.644 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -43.33 -39.18 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.635 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.825 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.44 -3.25 55.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.726 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.42 -48.78 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.61 -22.13 63.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.825 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.17 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.7 m-85 -51.79 -55.74 18.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.56 -41.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.661 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -92.35 -28.98 16.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.3 mm-40 -79.84 4.29 17.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -117.42 -48.36 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 21' ' ' ALA . 6.3 p -53.65 -59.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.778 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -83.34 -3.83 89.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -134.4 48.11 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.751 . . . . 0.0 109.983 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -106.74 -81.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.968 ' HA ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -119.14 -107.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . -36.15 -34.62 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 25' ' ' GLY . . . -71.51 -2.29 16.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.968 HD13 ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -88.26 -35.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.0 -43.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.626 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -52.71 -31.41 37.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -39.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.648 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -80.4 -53.2 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.064 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 33' ' ' GLY . 2.2 t 66.11 -13.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.209 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.648 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 119.09 34.26 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.563 1.164 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.89 -107.53 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 40' ' ' VAL . 78.1 t -59.04 -14.28 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.728 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 54.22 170.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 42' ' ' ALA . 15.4 mm -61.65 167.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.534 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 -136.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.599 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -138.13 10.88 2.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 70.11 -30.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -44.48 -40.84 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.486 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 t-160 -96.59 -54.9 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.768 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -40.55 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.19 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 7' ' ' ASP . 28.1 t -23.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.977 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -41.03 -25.43 0.12 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.14 -139.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 0.812 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.663 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 30.96 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.375 1.047 . . . . 0.0 110.331 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.642 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -43.63 -36.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.884 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.2 -68.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.661 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.4 t-160 -39.3 -29.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.495 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.793 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 2.5 tp60 -87.79 -6.22 58.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 1.133 ' HZ1' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -98.24 -32.35 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.133 HD12 ' HZ1' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -87.67 -11.9 47.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.793 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -47.05 -62.33 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -64.95 2.49 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 1.03 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -107.55 -43.03 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.925 -179.885 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.601 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -95.37 -37.76 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -74.95 -2.36 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.29 -50.04 3.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 25' ' ' GLY . 3.9 p -53.63 -64.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.727 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -62.93 -19.75 61.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.586 1.178 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.01 -3.74 27.99 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 0.831 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.53 -70.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -46.97 -51.01 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' C ' ' H ' ' A' ' 31' ' ' ILE . . . -66.28 -33.07 83.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.53 -4.16 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 0.0 109.227 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' GLY . 47.9 mm -80.25 -22.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -110.91 -77.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 36' ' ' VAL . . . 34.81 -104.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -37.35 -32.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.7 ' C ' ' H ' ' A' ' 37' ' ' GLY . 2.6 mtp -85.25 -50.97 6.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 33' ' ' GLY . 1.6 t 65.06 -15.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.7 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 162.32 -49.16 0.33 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.429 1.081 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.519 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -146.74 10.64 1.44 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 1.1 t 78.46 -26.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -32.85 124.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.185 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 42' ' ' ALA . 26.3 mm -53.16 167.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.53 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.372 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.682 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 5.8 p-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 83.25 112.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -168.57 -42.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.634 1.209 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' SER . 75.6 m-85 -48.98 -31.97 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.498 ' CG ' ' N ' ' A' ' 6' ' ' HIS . 6.1 ptt-85 -64.85 -41.58 95.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.498 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -79.84 -41.66 25.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.625 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -83.97 7.09 19.49 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.669 ' O ' ' C ' ' A' ' 9' ' ' GLY . 31.1 t -44.71 -99.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -5.67 -104.76 0.0 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.759 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -30.69 -70.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 111.052 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.681 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 3.7 tp10 -27.34 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 9' ' ' GLY . 2.8 p -38.75 -44.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -59.6 -71.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.639 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.798 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.4 t-160 -28.63 -54.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.615 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.92 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.777 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -21.4 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -130.68 -37.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.798 ' CG2' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -33.35 -64.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -43.77 -24.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.718 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.19 -68.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.68 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . . . -65.64 -49.94 66.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 18' ' ' VAL . 7.3 tp10 -42.52 -35.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -50.19 29.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.68 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 4.1 m -78.15 141.06 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.65 -44.05 3.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -86.03 -78.72 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.449 0.734 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.688 ' ND2' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER 163.04 -87.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.651 ' O ' HD12 ' A' ' 31' ' ' ILE . 12.1 mmmt 70.14 -49.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 27' ' ' ASN . . . -71.79 -45.42 43.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.688 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . . . -76.37 8.31 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.7 mt -39.14 -36.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.639 HG22 ' N ' ' A' ' 33' ' ' GLY . 24.6 mt 56.28 -85.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.639 ' N ' HG22 ' A' ' 32' ' ' ILE . . . 31.42 -93.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -37.23 -32.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.725 ' C ' ' H ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -77.75 -49.0 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER 65.02 -18.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.617 1.198 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.725 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 164.93 -47.51 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -147.9 10.52 1.21 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER 80.47 -28.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.398 0.705 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 40' ' ' VAL . 1.7 t 37.23 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 42' ' ' ALA . 14.0 mt -56.49 167.51 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.37 77.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -175.02 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 5' ' ' ARG . 3.4 m-85 -60.13 -32.82 71.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -35.03 -46.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 97.74 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 11' ' ' GLU . 29.9 m-20 -177.93 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -4.63 14.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.612 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -88.13 5.85 84.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.666 ' O ' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -173.37 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 110.992 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' ASP . 15.4 tt0 -37.44 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.95 -30.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.976 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -76.11 -69.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.666 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.5 t-160 -27.83 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.964 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -7.48 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.976 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -26.07 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -122.31 -49.63 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.917 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.964 HG23 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -34.07 -38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.624 ' CD2' ' HG2' ' A' ' 15' ' ' GLN . 1.3 t80 -59.07 -57.27 13.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.589 1.181 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.01 -46.53 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HA ' HG23 ' A' ' 24' ' ' VAL . . . -77.8 -32.85 52.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -55.83 -36.33 67.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.57 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -56.76 -74.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . . . -36.44 -31.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -132.11 63.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.811 ' H ' HD11 ' A' ' 32' ' ' ILE . 2.1 t-20 -39.22 -46.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HB2' HD12 ' A' ' 31' ' ' ILE . 5.5 mttp -152.97 89.42 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.761 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . 68.03 -32.96 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 29' ' ' GLY . . . 154.54 13.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.364 0.685 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -34.8 -33.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.811 HD11 ' H ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -101.86 141.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.779 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -134.8 -104.67 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -54.46 -19.61 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.417 ' C ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -89.33 -12.06 41.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 1.054 . . . . 0.0 111.029 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 33' ' ' GLY . 91.8 t -49.69 -20.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 35' ' ' MET . . . -176.42 33.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.62 -111.16 3.19 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' VAL . 55.1 t -76.27 -13.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER 52.21 176.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.398 1.062 . . . . 0.0 109.364 -179.932 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.694 HD13 ' N ' ' A' ' 41' ' ' ILE . 1.8 mm -61.79 156.89 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -180.0 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.47 99.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.61 1.194 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.592 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -138.62 11.44 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.213 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 70.4 -30.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.927 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -83.65 -20.33 33.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.634 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 1.1 t60 -101.06 -52.24 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.646 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -36.53 -29.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -58.58 151.32 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.019 179.919 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.27 -31.05 8.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -133.35 -40.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 19.3 tt0 -46.15 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -45.14 -30.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.183 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.4 m170 -70.21 -70.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t-160 -38.83 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.062 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.754 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 6.0 tp60 -91.35 -8.79 47.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -96.92 -34.61 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' CB ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -82.31 -21.05 36.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.754 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -44.65 -47.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -53.69 -29.94 41.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CB ' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.46 -41.62 11.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -74.61 -66.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.56 -36.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 t0 -70.49 -51.45 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 21' ' ' ALA . 2.7 p -77.5 134.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . 88.59 -40.27 3.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -36.57 -32.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.369 0.688 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.6 m120 -62.78 -91.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.725 ' CA ' HD12 ' A' ' 31' ' ' ILE . 2.9 mmtt -121.35 -34.69 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.762 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 77.61 6.81 87.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 92.9 17.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 0.723 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.938 HG22 HG12 ' A' ' 32' ' ' ILE . 3.4 mt -25.91 -50.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.938 HG12 HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -130.37 159.59 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' C ' ' N ' ' A' ' 35' ' ' MET . . . -139.5 -118.45 1.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -28.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.488 0.758 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.708 ' C ' ' H ' ' A' ' 37' ' ' GLY . 4.8 mtm -78.3 -53.54 7.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 32' ' ' ILE . 1.2 t 65.5 -16.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.708 ' H ' ' C ' ' A' ' 35' ' ' MET . . . 161.84 -48.5 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.511 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . -145.47 8.43 1.61 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG23 ' HA ' ' A' ' 35' ' ' MET . 1.0 OUTLIER 78.73 -25.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 38' ' ' GLY . 51.9 t -32.91 -86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 42' ' ' ALA . 2.6 mp -55.5 167.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.536 ' N ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 71.52 117.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.654 ' C ' ' H ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -129.89 0.86 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 8' ' ' SER . 3.5 m-30 63.78 -16.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.654 ' H ' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -58.57 -29.49 66.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.375 1.047 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.451 ' CE1' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -76.87 -93.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.625 179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -133.48 -5.05 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 4.8 t -80.2 5.92 13.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.599 1.187 . . . . 0.0 110.018 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.672 ' C ' ' CG ' ' A' ' 10' ' ' TYR . . . -110.24 16.11 29.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.12 -55.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.607 0.827 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 2.2 tt0 -30.5 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -46.4 -39.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.929 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -64.87 -71.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.559 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.591 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.9 t-160 -31.39 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.8 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -68.07 -4.42 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.929 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -98.45 -31.41 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' CD2' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -94.0 3.7 54.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.8 ' CG2' ' C ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -59.98 -84.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CZ ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -38.6 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 111.028 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -68.95 -60.03 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 111.056 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.806 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -79.82 -29.72 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.45 -15.26 63.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.4 m-20 -99.05 -56.17 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' ' 21' ' ' ALA . 9.6 p -58.3 93.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.07 . . . . 0.0 109.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 27' ' ' ASN . . . 38.31 29.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 26' ' ' SER . 1.0 OUTLIER 50.45 20.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 33.9 t-20 -173.02 -100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB2' HG22 ' A' ' 24' ' ' VAL . 3.6 mmmt 61.46 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.72 -49.05 0.88 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' HB3' ' OD1' ' A' ' 27' ' ' ASN . . . -72.51 0.58 10.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.586 HG22 HG13 ' A' ' 32' ' ' ILE . 1.3 mp -75.32 -40.36 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.592 HG23 ' HB3' ' A' ' 35' ' ' MET . 8.1 mt -134.15 -79.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.187 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.72 ' CA ' HG23 ' A' ' 36' ' ' VAL . . . 41.5 -95.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -54.39 -20.34 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 0.0 109.335 179.902 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.592 ' HB3' HG23 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -92.67 -10.61 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.72 HG23 ' CA ' ' A' ' 33' ' ' GLY . 75.2 t -45.35 -23.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 35' ' ' MET . . . 173.48 36.21 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.568 1.168 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.11 -111.15 2.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 40' ' ' VAL . 57.1 t -62.55 -13.6 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 0.747 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -32.16 138.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -42.91 160.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' N ' ' CG1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 179.985 . . . . . . . . 1 1 . 1 stop_ save_