data_1ktm_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 1ktm _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 16.1 t70 -75.49 -43.0 51.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -60.37 -41.75 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 968' ' ' THR . 12.2 t -72.24 -51.22 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.569 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 8.5 m-30 -65.39 -15.36 62.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 2.7 mm-40 -77.26 -68.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.01 -54.3 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 73.9 t -46.59 -62.27 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 934' ' ' LYS . 7.6 p -60.75 -65.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.25 -59.02 0.65 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -56.79 -47.19 80.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' 1032 ' ' ALA . 1.4 t -59.89 -62.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.9 mttt -39.98 -31.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 939' ' ' MET . . . -82.47 -49.56 9.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 932' ' ' LEU . 2.9 t -37.98 -38.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 940' ' ' SER . 4.6 mp -84.14 -65.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -52.97 4.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 3.4 ppp? -50.41 -31.8 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 937' ' ' ILE . 13.1 m -66.29 -39.07 89.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 45.9 t -67.26 -50.67 59.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -83.13 7.45 15.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.578 HD12 ' CE1' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -76.99 -61.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.489 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -35.72 -53.6 1.39 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.4 Cg_endo -74.92 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -30.46 122.23 0.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 178.34 7.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.06 -12.23 21.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -92.43 -28.06 17.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.449 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -100.58 -11.77 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 943' ' ' ILE . 9.1 t80 -89.8 -41.67 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -43.52 -49.76 17.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.0 Cg_endo -75.08 -46.31 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.48 ' HE3' ' CB ' ' A' ' 946' ' ' ALA . 5.9 ttp -34.34 -61.66 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.38 -42.73 96.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -51.56 -36.47 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -53.99 40.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 75.7 t -50.68 -40.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.434 ' HA2' ' CD1' ' A' ' 995' ' ' LEU . . . -70.75 -37.78 66.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 960' ' ' LEU . 0.1 OUTLIER -63.82 -41.84 97.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.39 78.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' A' ' 966' ' ' LEU . 0.6 OUTLIER -52.95 -54.02 41.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -59.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -48.97 70.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 9.8 mp -48.99 -56.07 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.6 79.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 925' ' ' VAL . 23.0 m -56.98 -41.55 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 972' ' ' SER . 21.9 t -57.51 -47.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -48.13 -41.45 26.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.492 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 15.7 tt0 -74.54 -24.03 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.06 -30.07 26.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.498 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -39.46 -52.9 4.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.91 -34.55 3.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 25.6 t -47.59 -27.1 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.6 mm? -108.72 157.65 36.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.44 35.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -56.03 118.44 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.4 t 156.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.555 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 6.6 t -116.05 37.62 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.472 ' NE2' ' N ' ' A' ' 979' ' ' SER . 0.0 OUTLIER -82.36 -77.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -38.99 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -40.03 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 980' ' ' THR . 6.7 mt -54.04 -51.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.69 -45.84 81.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 26.8 mtp -66.17 -27.77 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' 1035 ' ' LEU . . . -71.44 -41.19 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -53.05 -51.42 61.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.94 70.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -54.91 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.17 -57.36 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -49.5 17.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -70.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.8 OUTLIER -48.38 -42.34 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.5 OUTLIER -54.7 -62.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.75 -51.49 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' 1028 ' ' LEU . 6.2 tt -75.45 -42.84 52.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 6.0 mm -58.92 -48.55 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -57.73 -51.6 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -43.02 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 4.2 ttp -66.64 -59.92 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.14 -31.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1007 ' ' GLN . 10.7 mt -83.07 -57.62 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -44.66 -38.76 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.454 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 0.8 OUTLIER -53.88 -36.51 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1007 ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' 1004 ' ' LEU . 13.3 tt0 -98.66 -29.55 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' 1004 ' ' LEU . 33.9 m-85 -88.89 32.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' 1014 ' ' GLN . 6.7 p -120.94 -47.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.481 ' CE ' ' CG2' ' A' 1011 ' ' THR . 0.0 OUTLIER -61.52 -18.24 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.481 ' CG2' ' CE ' ' A' 1010 ' ' MET . 0.0 OUTLIER -70.56 -78.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.98 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.943 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' 1013 ' ' LEU . 3.7 pp -80.03 52.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.473 ' HG3' ' CG2' ' A' 1009 ' ' VAL . 1.1 tt0 -79.36 -67.51 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -29.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -63.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1017 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -64.34 -38.55 91.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.14 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -49.21 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -43.69 -50.96 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -48.03 61.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -50.04 -47.85 53.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.9 m -45.36 -55.04 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.03 86.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -49.28 -34.35 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.52 -58.19 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.29 77.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 6.8 mt -55.22 -66.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.54 -43.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.4 t -68.3 -51.36 48.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -46.54 -51.85 14.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 933' ' ' VAL . . . -60.32 -34.7 74.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -68.15 -57.37 6.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.84 -23.63 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 987' ' ' ALA . 0.4 OUTLIER -64.95 -67.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.9 -41.26 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1037 ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' 1036 ' ' LEU . 51.8 t0 -37.83 -52.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' 1039 ' ' ILE . 0.3 OUTLIER -62.09 -48.83 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.481 ' N ' ' CG1' ' A' 1038 ' ' VAL . 6.0 mt -54.21 -45.38 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -36.66 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.499 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 1.3 mt-30 -70.17 -23.61 63.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.555 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -82.69 -56.96 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.3 ttt-85 -38.91 -47.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.5 pp -63.19 -47.67 81.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' 1042 ' ' ALA . 28.5 tttp -41.18 -28.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 29.1 ttp -88.1 -49.28 7.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.498 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.8 OUTLIER -75.51 -31.48 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.02 -49.14 66.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 968' ' ' THR . 15.4 t -62.71 -40.47 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.516 ' CG ' HD22 ' A' 1036 ' ' LEU . 3.3 m-85 -73.93 -25.26 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 4.2 mm-40 -67.99 -67.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -44.33 -56.05 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 53.7 t -40.47 -59.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.5 p -67.0 -64.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.46 -45.17 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -73.16 -51.41 17.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.413 ' O ' ' CD1' ' A' ' 937' ' ' ILE . 0.9 OUTLIER -52.5 -50.91 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -43.71 65.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.16 -49.32 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 935' ' ' ALA . 3.6 t -38.82 -42.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 938' ' ' GLU . 4.4 mp -84.06 -64.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -38.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 942' ' ' LYS . 5.8 ttm -52.41 -68.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.507 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.2 m -41.68 -30.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.7 t -67.33 -45.63 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.67 22.45 15.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.581 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.18 -52.57 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.518 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.7 OUTLIER -39.88 -54.19 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -75.0 -53.8 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -32.47 128.33 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.463 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 177.25 8.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.5 Cg_endo -75.0 -19.2 18.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -16.46 40.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.456 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -110.83 -3.78 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.581 ' CE1' HD13 ' A' ' 943' ' ' ILE . 3.1 t80 -93.15 -35.99 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.589 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -53.17 -47.22 96.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.04 -50.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -34.08 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.476 ' CG1' HD12 ' A' ' 999' ' ' ILE . 13.7 t -53.74 -53.76 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 955' ' ' VAL . 1.7 mmtt -38.89 -32.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.91 -58.33 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 959' ' ' GLY . 0.5 OUTLIER -47.08 -42.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.409 ' N ' HG11 ' A' ' 958' ' ' VAL . . . -57.68 -43.22 94.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -45.41 93.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.37 8.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.459 ' CD2' ' HG ' ' A' ' 991' ' ' LEU . 2.1 mt -49.77 -50.24 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -59.69 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 5.9 m -61.65 -39.02 89.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.409 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 4.4 tt -60.84 -36.33 78.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -54.26 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.87 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.472 HG22 ' CG2' ' A' ' 925' ' ' VAL . 31.5 m -52.65 -44.37 66.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 973' ' ' LEU . 6.3 t -54.9 -45.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -48.25 -44.21 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.496 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 7.5 mt-10 -72.9 -22.09 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.501 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.3 OUTLIER -85.51 -27.64 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.69 -51.47 9.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.0 -36.89 2.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.488 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 7.3 t -47.02 -32.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.9 OUTLIER -110.14 144.65 30.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -58.96 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.2 OUTLIER 85.51 -44.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.577 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 11.7 t -111.65 40.88 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -83.97 -84.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 985' ' ' GLU . 0.0 OUTLIER -55.98 -54.38 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -43.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' 1039 ' ' ILE . 0.3 OUTLIER -65.78 -45.05 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.6 OUTLIER -60.29 -36.67 78.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -36.16 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -65.7 -21.23 66.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.41 -45.76 18.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -39.19 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -47.12 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.459 ' HG ' ' CD2' ' A' ' 962' ' ' LEU . 39.2 tp -54.42 -53.19 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t-20 -56.78 -61.76 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.87 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.531 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.93 -30.12 70.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 992' ' ' ASN . 0.4 OUTLIER -67.71 -58.13 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -45.59 -47.57 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -54.79 -36.32 64.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 995' ' ' LEU . 7.0 tt -71.69 -46.64 58.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.476 HD12 ' CG1' ' A' ' 955' ' ' VAL . 3.5 mm -51.11 -48.79 30.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 41.7 t30 -57.01 -54.99 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -42.54 -36.51 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -79.29 -45.53 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -28.11 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.48 -50.49 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -50.55 -27.64 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -62.35 -34.09 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.9 -26.22 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.524 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 21.6 m-85 -88.67 23.87 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1009 ' ' VAL . . . . . . . . . . . . . 3.1 p -109.88 -45.72 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.505 ' CE ' ' OG1' ' A' 1011 ' ' THR . 0.0 OUTLIER -68.66 -13.22 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.505 ' OG1' ' CE ' ' A' 1010 ' ' MET . 1.2 m -73.05 -83.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.32 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 1.9 pp -79.41 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' 1015 ' ' GLN . 0.8 OUTLIER -77.72 -60.18 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.401 ' N ' ' OE1' ' A' 1014 ' ' GLN . 2.0 pt20 -47.9 -24.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -70.42 -61.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.524 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 3.0 m-85 -63.23 -14.44 49.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.405 ' HE2' ' CA ' ' A' 1018 ' ' LYS . 0.0 OUTLIER -75.96 -45.18 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -13.99 61.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -73.3 -66.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' 1022 ' ' LEU . 5.4 ppp? -52.55 -33.43 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' 1022 ' ' LEU . 1.6 tm? -58.37 -56.37 22.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -43.33 -48.47 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.53 -27.37 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -56.96 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.63 -35.05 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.531 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -61.13 -63.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1029 ' ' ALA . . . . . . . . . . . . . . . -41.58 -40.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.7 t -73.25 -49.88 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' 1030 ' ' VAL . 5.4 t0 -40.23 -54.34 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.35 80.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 7.1 tptt -55.78 -40.34 72.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -56.94 -45.54 82.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.504 ' O ' ' CG1' ' A' 1038 ' ' VAL . 5.8 tt -46.22 -54.71 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.516 HD22 ' CG ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -70.82 -42.0 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -41.02 -59.56 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' 1035 ' ' LEU . 5.9 p -55.31 -40.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 984' ' ' ILE . 10.7 mt -61.46 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -40.17 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.513 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 33.1 mt-30 -70.1 -22.74 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.577 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -84.74 -41.22 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -44.83 65.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -66.05 -46.95 75.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.449 ' N ' HD12 ' A' 1044 ' ' LEU . 14.2 mttm -40.92 -29.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' 1044 ' ' LEU . 13.1 ttp -87.86 -55.8 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 25.8 p-10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.02 -45.59 26.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -59.37 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 929' ' ' VAL . 91.6 t -44.06 -52.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.596 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 3.3 m-85 -61.65 -37.91 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.68 -54.83 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -50.05 -38.34 37.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 925' ' ' VAL . 83.9 t -66.32 -62.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.1 p -44.97 -63.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.41 -28.13 13.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 933' ' ' VAL . 0.2 OUTLIER -73.6 -61.93 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' 1032 ' ' ALA . 15.8 m -60.23 -35.45 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.7 mmpt? -56.02 -40.4 73.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.22 -43.72 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 935' ' ' ALA . 6.2 t -39.03 -42.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 938' ' ' GLU . 60.2 mt -84.79 -66.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -32.47 -41.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 36.2 ttm -49.79 -71.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.523 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 48.2 m -40.96 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -48.92 69.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.6 OUTLIER -103.61 23.75 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.554 ' CD1' ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.16 -52.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.509 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 2.0 tt0 -42.97 -52.32 11.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.97 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.79 133.26 0.43 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.95 177.39 8.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.04 -16.07 20.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 -25.72 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -98.14 -6.01 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.568 ' CD1' ' SD ' ' A' 1002 ' ' MET . 1.0 OUTLIER -89.94 -45.78 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -48.75 -48.15 70.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.788 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.473 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 4.8 ttp -33.95 -52.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.609 ' CG1' ' CD1' ' A' ' 999' ' ' ILE . 2.3 t -62.73 -55.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.24 -34.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -58.93 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -40.27 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -62.08 -39.68 97.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -39.89 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.98 73.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 995' ' ' LEU . 2.1 mt -55.62 -50.53 69.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -48.56 -55.26 11.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 15.0 m -62.08 -38.5 89.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.42 ' CD2' HG21 ' A' ' 929' ' ' VAL . 2.5 tm? -53.95 -41.46 67.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 8.6 mp -57.81 -58.1 9.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.23 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 26.1 p -49.46 -45.86 47.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.66 -40.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.66 -33.85 35.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.537 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 12.7 mt-10 -81.7 -23.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.5 OUTLIER -85.1 -33.86 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.519 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.8 OUTLIER -39.89 -50.93 5.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.537 ' HD2' ' C ' ' A' ' 971' ' ' GLU . 18.3 Cg_endo -74.98 -35.14 3.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.425 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 26.3 t -48.49 -26.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.8 mm? -107.54 158.05 34.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.1 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 977' ' ' PRO . . . -47.17 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 15.4 m 68.84 26.85 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.549 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 1.0 OUTLIER -116.45 -63.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 1.8 p80 -43.49 -27.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 980' ' ' THR . 1.4 ttp180 -77.69 -68.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.464 ' HB3' ' CG1' ' A' 1038 ' ' VAL . 15.7 mt-10 -56.75 -44.26 81.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 980' ' ' THR . 1.6 mp -58.02 -32.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -68.56 -39.23 81.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.21 62.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.78 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -78.66 -26.83 45.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -57.06 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 962' ' ' LEU . 22.3 tp -51.1 -63.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -55.87 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.24 -70.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -53.66 -33.97 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.55 -59.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -58.31 -49.44 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.16 -29.32 30.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' 1021 ' ' MET . 0.8 OUTLIER -75.6 -53.1 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.609 ' CD1' ' CG1' ' A' ' 955' ' ' VAL . 34.1 mm -44.48 -41.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' 1002 ' ' MET . 52.8 t30 -59.45 -61.59 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 1.4 mptt -47.5 -23.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.568 ' SD ' ' CD1' ' A' ' 951' ' ' TYR . 0.5 OUTLIER -87.12 -53.04 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.2 mtpt -52.38 -29.72 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.499 ' HB3' ' CD2' ' A' 1008 ' ' TYR . 1.5 mt -78.03 -51.06 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' 1009 ' ' VAL . . . -39.28 -48.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.473 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 5.3 tm0? -39.18 -46.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.47 -34.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 54.9 m-85 -87.65 39.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' 1005 ' ' ALA . 4.5 t -129.27 -48.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -36.36 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' 1009 ' ' VAL . 9.9 t -104.4 161.76 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -44.12 -32.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -40.25 -29.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' 1012 ' ' SER . 1.4 tt0 -35.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 20.3 pt20 -37.09 -40.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -54.7 -56.4 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.662 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 6.1 m-85 -67.5 -30.42 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -53.86 -39.13 65.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1019 ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -71.69 -44.28 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -52.16 -59.14 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.477 ' HG2' ' CD2' ' A' ' 998' ' ' LEU . 0.0 OUTLIER -49.65 -41.8 43.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.3 tm? -57.74 -43.26 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -49.54 -49.62 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.42 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -51.43 -31.53 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.21 -56.89 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.73 76.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' 1029 ' ' ALA . 9.3 mt -55.06 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -38.6 -42.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -69.03 -53.84 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -41.52 -63.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -52.86 -32.94 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.0 OUTLIER -68.9 -57.34 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.61 -30.92 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.19 -68.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.596 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -63.41 -40.04 96.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1037 ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' 1036 ' ' LEU . 28.1 t0 -39.01 -53.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 983' ' ' GLU . 76.8 t -60.3 -43.47 93.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' 1036 ' ' LEU . 11.3 mt -56.38 -46.88 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -49.69 -38.07 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.483 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 7.7 mt-30 -77.39 -23.3 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.549 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -80.65 -46.17 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -51.94 -49.22 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.4 pp -60.14 -42.9 95.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' 1044 ' ' LEU . 1.1 tptp -40.06 -31.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.1 OUTLIER -82.81 -50.84 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.462 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 11.8 p-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -76.04 -45.96 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -63.78 -54.35 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 929' ' ' VAL . 23.3 t -49.51 -54.58 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.558 ' CD1' HD22 ' A' 1036 ' ' LEU . 3.3 m-85 -61.38 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.13 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -53.01 -24.12 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.515 ' O ' ' CD1' ' A' ' 932' ' ' LEU . 37.4 t -72.97 -39.29 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 45.8 p -83.58 -29.09 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -62.51 -60.37 7.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.58 ' C ' ' CD2' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -60.57 -40.31 91.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 932' ' ' LEU . 2.3 t -65.22 -45.83 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -55.37 -48.39 74.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.64 -45.1 72.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 935' ' ' ALA . 1.6 t -37.62 -41.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 938' ' ' GLU . 9.7 mt -84.8 -67.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -36.81 -42.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.92 -62.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.444 ' HA ' ' CD1' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -50.16 -38.71 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -47.19 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.36 20.61 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.458 ' N ' ' HD2' ' A' ' 945' ' ' PRO . 1.3 mt -96.51 -61.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.563 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -47.1 -48.32 54.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -74.98 -13.93 21.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -89.44 135.09 31.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.442 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.99 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -74.98 -20.99 16.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -11.05 56.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -116.88 -3.51 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' 1002 ' ' MET . 1.1 t80 -92.14 -41.24 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -48.64 -47.83 70.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.03 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.475 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -33.57 -52.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 956' ' ' LYS . 0.4 OUTLIER -65.62 -50.52 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.49 ' N ' ' CG1' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -40.17 -35.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.19 -54.56 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -42.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -59.39 -44.37 96.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -50.9 71.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.96 55.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 995' ' ' LEU . 5.3 mt -55.78 -52.8 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -55.7 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 3.5 m -50.77 -34.06 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.423 ' CD2' HD22 ' A' ' 991' ' ' LEU . 0.9 OUTLIER -55.41 -51.8 65.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -48.43 -44.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -67.08 -63.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 925' ' ' VAL . 73.2 p -44.17 -42.6 6.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 972' ' ' SER . 57.2 t -55.62 -47.87 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.484 ' HA ' ' CD1' ' A' ' 973' ' ' LEU . 5.1 t0 -53.05 -22.4 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.488 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 4.9 tt0 -79.88 -21.3 44.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 969' ' ' VAL . 0.0 OUTLIER -89.14 -15.24 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.536 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.3 OUTLIER -58.24 -50.34 88.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.03 -40.51 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.415 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 20.9 t -58.56 -25.75 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' 1039 ' ' ILE . 0.3 OUTLIER -105.67 164.06 15.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.58 5.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.33 53.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.71 7.62 3.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.539 ' O ' ' CG1' ' A' ' 984' ' ' ILE . 1.1 p -117.95 39.52 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 984' ' ' ILE . 30.3 m170 -84.46 -110.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -44.32 -33.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.91 -42.72 98.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.539 ' CG1' ' O ' ' A' ' 980' ' ' THR . 22.6 mm -73.29 -38.16 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.27 -27.4 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -43.65 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.01 46.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 984' ' ' ILE . 1.6 mm100 -76.51 -51.06 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -50.98 67.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 995' ' ' LEU . 26.7 tp -45.44 -67.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -50.5 -61.66 2.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 23.2 t -41.13 -60.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.537 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.9 OUTLIER -59.4 -38.72 81.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -53.27 -57.74 9.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.83 -46.01 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.95 -33.77 57.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 8.5 tt -75.8 -50.64 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.414 ' CG1' HD13 ' A' ' 995' ' ' LEU . 21.2 mm -53.54 -50.62 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 11.9 t30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 2.3 tptt -52.96 -47.74 67.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -62.66 -51.12 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -42.42 -42.43 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' 1008 ' ' TYR . 8.1 mt -77.51 -36.64 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' 1002 ' ' MET . . . -51.97 -21.6 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -91.6 -24.1 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1007 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.9 OUTLIER -95.9 -11.11 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.804 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 0.2 OUTLIER -102.04 -37.67 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' 1011 ' ' THR . 3.0 p -41.13 -42.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.493 ' CE ' ' CG2' ' A' 1011 ' ' THR . 0.0 OUTLIER -36.76 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.493 ' CG2' ' CE ' ' A' 1010 ' ' MET . 73.1 p -96.96 -139.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 -4.56 10.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' 1016 ' ' GLU . 3.3 mm? -65.68 -11.62 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.447 ' OE1' ' NE2' ' A' ' 944' ' ' GLN . 1.2 tt0 -36.86 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.71 -32.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -66.84 -54.96 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.804 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 1.4 m-85 -69.51 -24.81 63.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -42.34 99.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -32.85 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -56.84 -61.74 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' 1022 ' ' LEU . 13.4 ptm -59.29 -25.67 64.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' 1021 ' ' MET . 3.4 tm? -67.69 -47.48 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.8 m -50.7 -47.16 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.75 93.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.72 -31.15 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -57.27 8.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -68.69 -35.58 77.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.537 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.2 OUTLIER -59.28 -63.63 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.7 -44.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.85 -45.17 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' 1028 ' ' LEU . 3.5 t70 -41.8 -55.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.69 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -56.51 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -43.28 -42.0 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 3.8 tt -48.76 -65.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.59 -39.21 91.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -43.15 -44.23 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 67.7 t -68.86 -38.46 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 976' ' ' LEU . 4.5 mt -56.87 -51.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.68 -43.4 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.495 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.0 OUTLIER -70.84 -29.35 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.493 ' CB ' HG23 ' A' ' 980' ' ' THR . . . -72.57 -48.62 38.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 0.0 OUTLIER -46.01 -64.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 2.2 pp -43.38 -44.18 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.422 ' N ' HD13 ' A' 1044 ' ' LEU . 0.2 OUTLIER -41.46 -31.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 30.8 ttp -88.11 -53.24 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.1 p30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.01 -36.31 61.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -55.22 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 11.9 t -57.69 -45.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.3 m-85 -65.37 -29.47 70.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.67 -64.31 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -44.48 -51.02 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.519 ' O ' ' CD1' ' A' ' 932' ' ' LEU . 3.9 t -43.72 -56.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 81.3 p -70.24 -24.06 63.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -61.73 -76.16 0.26 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.566 ' C ' ' CD2' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -50.7 -39.93 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.437 ' N ' HD22 ' A' ' 932' ' ' LEU . 2.5 t -60.53 -58.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.85 -35.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -80.74 -47.04 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.9 t -38.33 -40.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.0 mt -82.44 -68.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -37.0 -46.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.471 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 40.0 mtp -44.7 -60.25 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.486 ' HA ' ' HB ' ' A' ' 943' ' ' ILE . 74.3 p -46.82 -39.03 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -88.35 29.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 940' ' ' SER . 0.2 OUTLIER -93.89 -60.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.538 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.7 OUTLIER -41.89 -49.41 10.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.02 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -37.84 124.52 0.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 951' ' ' TYR . 18.1 Cg_endo -75.07 177.74 8.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.99 -13.31 21.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.449 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -105.17 -11.08 16.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 947' ' ' PRO . 16.6 t80 -90.79 -40.1 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.63 -48.79 48.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.451 ' CE ' ' HE3' ' A' ' 942' ' ' LYS . 2.8 ttm -34.85 -54.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . . . . . . . . . 37.2 t -65.65 -53.41 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.31 -38.75 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.3 OUTLIER -59.14 -62.15 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 957' ' ' GLU . 0.3 OUTLIER -39.82 -39.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -58.55 -50.55 65.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.5 OUTLIER -52.45 -49.47 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -51.58 -54.2 30.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 995' ' ' LEU . 2.5 mt -55.73 -49.33 73.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -53.59 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 4.7 m -62.0 -41.91 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.458 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 1.0 OUTLIER -51.7 -50.43 60.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 9.9 mp -47.71 -57.43 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.03 84.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 10.2 m -53.87 -44.82 70.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 22.3 t -55.35 -46.27 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 40.5 t0 -49.1 -39.23 27.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.487 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 6.4 mt-10 -73.46 -24.0 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.497 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.33 -30.56 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -38.4 -52.26 3.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.95 -36.9 2.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 976' ' ' LEU . 55.1 t -47.99 -33.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 976' ' ' LEU . 0.0 OUTLIER -102.8 151.62 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -53.05 111.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 10.1 p 167.52 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.5 ' CG2' HD12 ' A' ' 984' ' ' ILE . 5.4 t -108.6 0.15 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 982' ' ' ARG . 7.9 m-70 -49.92 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.71 -67.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -45.89 -43.54 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.5 HD12 ' CG2' ' A' ' 980' ' ' THR . 2.8 mt -62.63 -41.75 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -45.43 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -21.0 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -73.67 -43.86 58.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -63.23 -27.34 69.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.24 -58.5 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.443 ' HG ' ' CD2' ' A' ' 962' ' ' LEU . 40.8 tp -56.89 -56.55 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -46.1 -45.46 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.76 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.8 m-20 -49.28 -30.52 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -59.43 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.59 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -45.39 -34.08 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -51.66 28.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 17.7 mm -56.11 -49.72 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.67 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -45.38 4.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1002 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -47.88 81.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -53.61 -22.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' 1008 ' ' TYR . 12.4 mt -91.54 -44.03 9.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -52.86 -19.39 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.472 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 2.3 tt0 -88.06 -28.45 21.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1007 ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' 1004 ' ' LEU . 2.4 tm0? -100.25 -4.14 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.552 ' CZ ' ' OH ' ' A' 1017 ' ' TYR . 10.5 m-85 -112.05 -8.66 14.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1011 ' ' THR . 2.4 p -73.42 -38.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.424 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' 1012 ' ' SER . 62.3 p -104.37 -108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.455 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -156.42 23.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' 1014 ' ' GLN . 1.2 mm? -81.12 -25.92 36.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -37.53 -59.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -42.6 -50.05 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.7 -55.22 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.552 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 17.6 m-85 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 8.3 mttm -48.15 -36.82 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -30.18 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1020 ' ' GLN . . . . . 0.459 ' CG ' ' HA ' ' A' 1017 ' ' TYR . 76.6 mm-40 -62.47 -60.7 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 4.6 ppp? -58.31 -31.17 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 940' ' ' SER . 2.7 tm? -56.6 -50.1 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.5 m -56.27 -41.49 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.84 81.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -61.66 -31.76 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -72.72 -50.91 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.588 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.31 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 10.3 mt -55.62 -67.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.37 -45.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -67.64 -48.45 76.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.426 ' HA ' ' ND2' ' A' 1034 ' ' ASN . 26.0 m-20 -49.5 -57.59 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.62 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' 1035 ' ' LEU . 3.0 tptt -69.7 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1034 ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' 1034 ' ' ASN . 9.2 p30 -45.16 -26.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' 1034 ' ' ASN . 5.9 tt -62.28 -67.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -41.02 -52.03 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.477 ' CG1' ' OG1' ' A' ' 980' ' ' THR . 84.5 t -63.44 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 984' ' ' ILE . 54.6 mt -59.84 -43.13 91.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1040 ' ' ASP . . . . . 0.542 ' O ' ' CD2' ' A' 1044 ' ' LEU . 1.1 t0 -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -62.24 -25.43 67.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.499 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -75.67 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 1042 ' ' ALA . 4.1 ttp-105 -35.28 -66.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' 1040 ' ' ASP . 0.2 OUTLIER -47.91 -47.07 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -44.22 -26.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -84.96 -47.24 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 12.8 p30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 927' ' ' GLU . 17.7 t0 -77.63 -39.9 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -56.55 -48.66 76.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 61.2 t -56.28 -46.74 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.549 ' CD2' HD22 ' A' 1036 ' ' LEU . 5.6 m-30 -71.19 -25.39 62.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 923' ' ' ASP . 13.6 mm-40 -71.68 -42.72 67.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -53.62 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 965' ' ' LEU . 9.9 t -48.52 -52.04 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.2 p -59.48 -57.43 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.3 -25.08 25.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -75.68 -59.88 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.447 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 29.4 m -63.3 -35.19 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -38.32 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -86.45 -45.64 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -38.87 -40.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.502 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.7 mt -84.44 -67.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.62 -42.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.4 mtp -45.22 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.538 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.0 m -41.54 -32.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 941' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 0.6 OUTLIER -61.0 -53.0 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.15 28.82 6.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.586 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -93.64 -51.22 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -42.98 -52.97 10.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.5 125.79 0.51 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.437 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.05 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.05 -15.92 20.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 -18.09 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.422 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -110.23 -5.92 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.586 ' CE1' HD11 ' A' ' 943' ' ' ILE . 9.2 t80 -92.2 -41.11 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.85 -48.67 50.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.99 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.02 -53.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.493 HG23 ' CE1' ' A' ' 951' ' ' TYR . 29.4 t -68.69 -52.79 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.69 -33.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.79 -57.18 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -47.56 -38.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 958' ' ' VAL . . . -62.68 -39.39 97.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -37.86 87.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.57 -56.92 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.532 ' CD1' ' CD2' ' A' ' 991' ' ' LEU . 4.2 mm? -50.42 -48.18 56.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -47.06 -51.55 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 964' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 965' ' ' LEU . 4.2 m -64.49 -52.26 58.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.0 OUTLIER -39.15 -39.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.49 -62.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -49.53 -58.54 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 72.7 p -51.39 -41.48 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 3.1 t -61.36 -42.98 95.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.414 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.1 t0 -48.89 -38.06 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.476 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 27.7 mt-10 -75.72 -25.01 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 969' ' ' VAL . 1.5 t -85.0 -27.01 26.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.494 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.49 -52.93 9.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -35.54 3.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 40.2 t -47.22 -33.04 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 976' ' ' LEU . 0.9 OUTLIER -106.92 148.32 36.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.408 ' O ' HG21 ' A' ' 980' ' ' THR . 18.2 Cg_endo -75.03 158.76 41.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.11 176.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.5 OUTLIER 87.61 -17.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.494 ' CB ' ' HB2' ' A' 1042 ' ' ALA . 2.6 t -116.25 -12.98 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 982' ' ' ARG . 14.8 m170 -67.83 -56.65 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 13.3 mtm-85 -37.39 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 987' ' ' ALA . 1.4 tt0 -50.72 -41.83 56.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 980' ' ' THR . 4.8 mt -53.64 -45.78 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -47.96 73.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.6 mtm -73.58 -29.28 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.87 -24.54 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -80.51 -44.72 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.11 -37.98 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -59.37 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.532 ' CD2' ' CD1' ' A' ' 962' ' ' LEU . 28.7 tp -53.7 -43.94 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -63.13 -43.03 99.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.463 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 1.3 m-20 -53.96 -31.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -57.75 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.86 -53.91 49.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.32 -31.73 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' 1028 ' ' LEU . 5.5 tt -71.21 -50.87 28.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 26.5 mm -48.85 -48.78 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -62.67 -53.67 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -41.16 -42.61 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 952' ' ' VAL . 0.7 OUTLIER -65.62 -47.46 75.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -56.11 -26.64 50.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 7.1 mt -83.95 -55.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' 1009 ' ' VAL . . . -44.71 -45.14 9.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.95 -43.96 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1007 ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' 1009 ' ' VAL . 4.9 tt0 -74.48 -75.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.705 ' CZ ' ' CE1' ' A' 1017 ' ' TYR . 49.6 m-85 -28.86 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' 1007 ' ' GLN . 53.7 t -36.36 -52.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -29.43 -71.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.419 HG22 ' N ' ' A' 1012 ' ' SER . 15.3 t -71.12 -145.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' 1015 ' ' GLN . 60.7 p -112.6 -24.46 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' 1016 ' ' GLU . 1.0 OUTLIER -38.86 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' 1012 ' ' SER . 20.9 tt0 -38.25 -55.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' 1012 ' ' SER . 0.6 OUTLIER -38.64 -42.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.434 ' CB ' HD23 ' A' 1013 ' ' LEU . 6.1 tt0 -61.3 -54.11 48.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.705 ' CE1' ' CZ ' ' A' 1008 ' ' TYR . 1.7 m-85 -59.08 -35.85 74.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -48.41 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -52.51 -52.85 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.464 ' SD ' ' CE ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -47.04 -52.49 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.76 -48.48 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.62 89.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.53 -33.93 10.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.56 -53.71 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.31 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 998' ' ' LEU . 9.5 mt -58.2 -66.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.67 -39.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 45.8 t -74.4 -52.2 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -42.18 -59.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.63 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.7 OUTLIER -66.49 -50.03 64.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -57.5 -19.66 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.16 -58.29 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.549 HD22 ' CD2' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.13 -37.28 69.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.9 t70 -43.13 -63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' 1039 ' ' ILE . 7.4 p -53.81 -42.95 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 976' ' ' LEU . 12.8 mt -55.22 -44.7 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -39.61 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.508 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 9.6 tt0 -69.23 -21.82 63.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.494 ' HB2' ' CB ' ' A' ' 980' ' ' THR . . . -84.98 -56.51 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.6 ttt180 -37.93 -43.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.508 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.3 pp -67.04 -49.48 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' 1042 ' ' ALA . 26.2 mttm -40.24 -29.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' 1044 ' ' LEU . 2.9 tmm? -87.03 -54.4 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 14.6 t30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.77 -49.0 12.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.25 -55.23 5.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.82 -70.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.48 ' CZ ' HD21 ' A' 1036 ' ' LEU . 5.2 m-30 -38.01 -36.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 928' ' ' ASN . 31.0 mm-40 -65.26 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 927' ' ' GLU . 3.2 t-20 -39.47 -42.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 76.3 t -55.4 -64.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 934' ' ' LYS . 80.6 p -55.65 -47.95 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.56 -45.58 46.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.54 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.1 OUTLIER -74.18 -53.3 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -31.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.0 OUTLIER -61.37 -47.87 83.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.54 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.481 HG12 ' CB ' ' A' 1025 ' ' ALA . 2.9 t -40.33 -45.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.4 mt -83.86 -65.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -36.07 -46.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.456 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 75.7 mtp -45.14 -63.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.494 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 51.2 m -42.9 -41.34 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 5.0 t -58.44 -65.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -88.09 31.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.526 ' CD1' ' CE2' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -95.22 -59.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.7 OUTLIER -43.55 -49.21 18.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.1 Cg_endo -75.01 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -37.41 126.58 0.88 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.444 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.07 177.04 9.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.05 -14.52 21.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.03 -16.68 27.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.455 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -112.83 -10.07 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 3.6 t80 -91.85 -40.01 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -49.41 -47.72 76.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.97 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 953' ' ' PRO . 10.2 ttm -34.49 -51.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' 1002 ' ' MET . 13.5 t -71.16 -52.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -41.33 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -56.0 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 962' ' ' LEU . 74.9 t -40.47 -58.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -43.87 -49.0 7.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -54.88 29.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.09 -58.94 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 958' ' ' VAL . 1.2 mp -53.09 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -48.05 -55.95 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 3.3 m -58.98 -40.48 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 59.1 tp -55.05 -53.54 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 11.0 mp -42.46 -55.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.13 -48.73 80.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 20.4 m -54.58 -42.65 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 9.3 t -56.62 -46.48 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.71 -39.1 23.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 22.6 mt-10 -76.81 -23.82 52.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.88 -26.16 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.522 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.03 -50.82 13.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -35.36 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.446 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 4.4 t -46.86 -32.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.9 OUTLIER -109.68 146.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' 1042 ' ' ALA . 18.3 Cg_endo -74.99 161.92 38.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.24 175.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.2 t 87.59 -17.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.493 ' CB ' ' HB1' ' A' 1042 ' ' ALA . 5.7 t -116.25 -17.21 10.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 978' ' ' ALA . 15.8 m170 -62.49 -56.5 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 981' ' ' HIS . 10.7 ttm180 -38.24 -74.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -50.62 -40.35 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.431 ' CG1' ' O ' ' A' ' 980' ' ' THR . 7.2 mt -55.1 -52.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -42.7 61.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.1 mtt -71.19 -28.84 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.52 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -69.87 -49.84 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -60.59 -34.0 73.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -47.72 74.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.458 ' CD2' HD23 ' A' ' 962' ' ' LEU . 41.7 tp -57.55 -60.39 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -47.12 -53.46 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -68.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.448 ' CB ' HD21 ' A' 1028 ' ' LEU . 0.4 OUTLIER -49.42 -38.13 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.78 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.27 -46.28 24.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.8 -28.89 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.426 ' CD1' HD11 ' A' 1028 ' ' LEU . 2.5 tt -79.54 -48.91 13.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.46 -55.12 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -52.37 -49.56 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -51.76 -43.01 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.41 ' HB2' ' CG2' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -68.13 -40.48 82.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -55.12 -27.79 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.5 mt -95.96 -33.79 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.402 ' O ' ' HB ' ' A' 1009 ' ' VAL . . . -68.36 -8.29 38.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 21.0 tm0? -79.37 -35.11 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1007 ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' 1009 ' ' VAL . 31.3 tt0 -98.13 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.544 ' CZ ' ' OH ' ' A' 1017 ' ' TYR . 12.6 m-85 -37.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' 1007 ' ' GLN . 2.9 p -41.15 -40.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.53 ' CE ' ' O ' ' A' 1010 ' ' MET . 0.0 OUTLIER -72.74 52.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' 1008 ' ' TYR . 6.0 t -175.37 173.91 2.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' 1015 ' ' GLN . 8.8 m -66.34 -31.8 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.418 ' HB2' ' CG2' ' A' 1011 ' ' THR . 1.5 mt -51.0 -29.16 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' 1013 ' ' LEU . 3.6 tt0 -38.11 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' 1012 ' ' SER . 4.1 pt20 -47.58 -38.8 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.16 -50.59 71.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.544 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 2.5 m-85 -59.34 -34.86 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 943' ' ' ILE . 8.9 mptt -54.56 -47.33 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -57.07 -44.65 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -51.62 -47.66 63.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.1 tmm? -51.21 -44.8 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -38.66 82.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.8 m -49.03 -49.34 41.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.49 13.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1025 ' ' ALA . . . . . 0.481 ' CB ' HG12 ' A' ' 936' ' ' VAL . . . -47.8 -26.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 69.6 t60 -73.97 -58.28 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1027 ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' 1031 ' ' ASP . . . -63.64 -35.14 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.448 HD21 ' CB ' ' A' ' 994' ' ' ASP . 7.0 mt -49.04 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' 1033 ' ' LYS . . . -50.4 -35.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' 1033 ' ' LYS . 4.8 t -70.42 -72.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.443 ' N ' HG12 ' A' 1030 ' ' VAL . 0.9 OUTLIER -45.82 -40.28 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.6 84.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' 1029 ' ' ALA . 15.9 mmtt -72.02 -51.55 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -49.95 -31.53 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.87 -67.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.18 -42.31 99.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -42.01 -44.68 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 90.3 t -65.03 -43.44 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' 1036 ' ' LEU . 7.8 mt -54.5 -47.21 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.76 -40.74 60.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.499 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 10.4 mt-30 -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.493 ' HB1' ' CB ' ' A' ' 980' ' ' THR . . . -76.14 -58.15 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -35.6 -58.71 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 1.7 pp -51.79 -49.03 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.1 OUTLIER -46.92 -27.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.3 ttp -85.45 -49.0 8.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.498 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.8 p30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -66.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -45.79 -50.52 13.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.5 ' CG2' ' OG ' ' A' ' 972' ' ' SER . 46.7 t -54.92 -62.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.595 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 3.3 m-85 -53.4 -35.11 60.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 930' ' ' THR . 11.0 mm-40 -70.91 -50.33 36.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.34 -49.29 77.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 74.3 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.8 p -54.89 -54.99 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.86 -32.19 55.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -68.8 -59.49 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.433 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 35.0 m -62.28 -40.54 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.1 OUTLIER -48.54 -39.2 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.42 -45.05 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 935' ' ' ALA . 5.3 t -37.38 -42.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 45.8 mt -83.91 -67.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -31.98 -45.69 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 3.3 mtp -48.49 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 8.2 p -37.38 -34.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.0 t -63.78 -52.67 59.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.557 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -102.54 25.89 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -92.95 -51.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.4 OUTLIER -48.18 -50.99 52.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.04 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.56 124.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.46 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 177.12 9.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.01 -16.78 19.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.03 -14.21 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.446 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -114.98 -6.6 12.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.567 ' CE1' HD13 ' A' ' 943' ' ' ILE . 8.9 t80 -90.83 -43.08 10.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.2 -48.22 55.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.06 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.539 ' CE ' HG12 ' A' ' 943' ' ' ILE . 10.8 ttm -38.38 -66.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 999' ' ' ILE . 7.8 t -56.19 -51.12 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -42.85 -41.35 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 73.6 t -44.24 -39.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -43.49 99.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -43.28 95.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.95 95.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.431 ' CD1' ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.57 -40.09 96.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . 0.412 ' N ' HD22 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -52.46 -54.56 30.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 964' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 965' ' ' LEU . 8.3 m -57.61 -49.44 76.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 1.0 OUTLIER -39.12 -48.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -48.49 -57.74 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 59.7 p -51.41 -45.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 22.7 t -55.43 -40.75 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 7.0 t0 -54.32 -38.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 17.4 mt-10 -71.57 -25.19 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.5 ' OG ' ' CG2' ' A' ' 925' ' ' VAL . 0.3 OUTLIER -84.51 -30.47 25.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -37.32 -53.03 2.29 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.0 -37.43 2.03 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 54.1 t -47.82 -32.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.5 OUTLIER -107.59 158.48 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 979' ' ' SER . 18.3 Cg_endo -74.99 145.25 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -42.17 -28.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 977' ' ' PRO . 28.1 t -37.62 -34.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.641 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 3.6 t -116.57 54.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -81.86 -83.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 985' ' ' GLU . 15.0 tpp180 -44.59 -62.16 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 982' ' ' ARG . 44.6 mt-10 -36.31 -53.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 980' ' ' THR . 1.5 mt -58.01 -48.78 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 982' ' ' ARG . 1.0 OUTLIER -60.64 -36.97 79.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.3 mtp -77.01 -27.85 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.42 70.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -71.28 -51.7 23.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -25.02 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -55.37 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.13 -58.6 6.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -49.46 -52.14 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.35 -68.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.493 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 4.1 m-20 -50.42 -42.39 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -40.12 -48.25 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.22 -44.58 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.4 OUTLIER -60.99 -39.11 88.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.473 HD12 ' CG1' ' A' ' 955' ' ' VAL . 2.8 mm -62.93 -62.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.58 -34.28 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -56.83 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' 1003 ' ' LYS . 0.0 OUTLIER -55.66 -17.93 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.3 mtpt -75.31 -38.86 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.94 -43.49 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -54.0 -31.31 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 948' ' ' PRO . 5.0 mm100 -60.44 -34.27 73.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.88 -30.04 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.604 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 21.0 m-85 -88.44 32.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' 1011 ' ' THR . 2.5 p -117.76 -40.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.428 ' O ' ' CB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -65.14 65.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER 171.44 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.5 p 155.75 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -39.93 -30.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' 1012 ' ' SER . 47.9 tp60 -38.27 -57.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -39.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 1013 ' ' LEU . 26.7 tt0 -69.63 -67.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.604 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 18.5 m-85 -55.19 -17.79 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.455 ' NZ ' ' CB ' ' A' ' 940' ' ' SER . 0.0 OUTLIER -65.96 -58.85 4.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1019 ' ' LYS . . . . . 0.407 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 0.0 OUTLIER -50.38 -39.65 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 10.2 mmm -51.42 -41.03 60.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -34.57 78.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -52.81 -51.74 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.18 62.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -59.21 -32.49 69.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -53.42 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.89 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.493 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 9.0 mt -56.15 -66.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.07 -42.1 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.8 t -70.82 -51.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' 1028 ' ' LEU . 1.7 m-20 -43.64 -61.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -53.52 -31.92 48.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.7 tptt -69.37 -54.35 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -51.83 -31.03 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.402 ' O ' HG11 ' A' 1038 ' ' VAL . 10.3 tt -58.65 -61.08 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.595 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.13 -40.84 82.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -44.1 -59.91 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' 1039 ' ' ILE . 0.5 OUTLIER -54.26 -35.74 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.48 ' CG2' ' HG ' ' A' ' 976' ' ' LEU . 5.3 mt -67.15 -46.34 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -43.51 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.484 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.0 OUTLIER -67.81 -21.85 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.641 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -87.63 -58.15 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -38.79 -37.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.6 pp -74.74 -47.95 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.3 OUTLIER -38.95 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' 1044 ' ' LEU . 1.0 OUTLIER -79.44 -54.49 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.2 OUTLIER -80.17 -48.32 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -61.19 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 60.8 t -50.87 -66.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.68 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 3.6 m-30 -47.27 -32.78 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 923' ' ' ASP . 4.2 tm-20 -72.09 -64.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -49.04 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 80.4 t -50.2 -56.18 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 931' ' ' GLY . 6.1 p -66.28 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.71 -53.33 0.64 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -63.38 -51.26 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' 1029 ' ' ALA . 1.6 t -55.53 -61.98 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 930' ' ' THR . 10.1 mtpt -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.46 -51.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 935' ' ' ALA . 84.1 t -39.23 -39.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.453 ' CD1' ' N ' ' A' ' 937' ' ' ILE . 1.8 mm -84.55 -66.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -35.98 -45.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 943' ' ' ILE . 5.7 ttp -50.97 -59.58 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.542 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.6 p -45.48 -36.43 4.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -33.07 75.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -118.66 24.63 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.598 HD11 ' CD1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -94.71 -48.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.2 tt0 -47.02 -52.52 33.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.5 Cg_endo -75.0 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.37 129.23 0.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 176.7 9.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -17.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.98 -14.38 39.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -113.82 -10.79 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.598 ' CD1' HD11 ' A' ' 943' ' ' ILE . 11.9 t80 -91.06 -34.18 15.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.577 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.65 -47.84 83.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -29.59 -61.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 951' ' ' TYR . 2.2 t -63.16 -53.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -48.98 79.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 37.2 t -50.27 -46.18 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.9 88.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -40.26 87.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -53.07 -43.52 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.468 ' CD1' ' CD1' ' A' ' 995' ' ' LEU . 72.2 mt -54.93 -57.11 12.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -47.02 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 30.3 m -73.24 -50.01 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.1 OUTLIER -47.22 -39.9 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -60.31 -62.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.28 -57.03 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 965' ' ' LEU . 72.2 p -47.23 -47.16 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 41.5 t -57.29 -40.42 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.418 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t0 -50.02 -37.96 35.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.493 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 17.9 mt-10 -75.76 -23.63 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.5 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 3.0 t -85.18 -28.0 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.32 -52.24 10.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 972' ' ' SER . 25.2 t -47.14 -30.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.2 mm? -110.65 158.09 36.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -72.93 57.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 4.5 t -123.1 -30.64 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.58 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 0.1 OUTLIER -116.38 16.34 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 2.6 m170 -48.66 -96.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 2.8 ptt180 -37.13 -45.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.17 -53.91 30.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.536 ' CD1' ' CG1' ' A' 1039 ' ' ILE . 1.3 mt -59.7 -36.57 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.48 -42.21 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -26.84 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -75.16 -21.51 58.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -77.3 -47.92 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -66.07 -33.22 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.76 -65.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.26 -47.85 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -56.8 -57.82 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.75 -63.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.493 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 2.8 m-20 -51.42 -56.73 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.468 ' CD1' ' CD1' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -46.73 -54.02 10.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.06 -36.54 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.88 -31.01 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 995' ' ' LEU . 1.8 tt -75.2 -40.03 59.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.482 ' CD1' HG11 ' A' ' 955' ' ' VAL . 47.0 mm -54.21 -45.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' LYS . 49.3 t30 -62.04 -55.71 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.69 -46.3 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 952' ' ' VAL . 0.0 OUTLIER -64.42 -36.63 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1000 ' ' ASN . 1.0 OUTLIER -64.8 -21.76 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.72 -46.37 10.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.351 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -59.58 -15.21 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -32.0 66.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1007 ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' 1010 ' ' MET . 0.3 OUTLIER -107.49 -23.14 12.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.422 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.4 m-85 -86.0 4.0 39.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1009 ' ' VAL . . . . . . . . . . . . . 1.7 p -79.99 -40.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -51.36 -19.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' 1012 ' ' SER . 1.4 t -114.99 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.539 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -89.52 17.66 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -80.9 -33.39 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -36.52 -66.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -34.12 -38.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.6 OUTLIER -67.94 -67.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.422 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -55.02 -19.7 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' 1021 ' ' MET . 6.2 mptt -66.74 -48.82 67.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -63.53 -25.7 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -68.4 -58.97 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.5 ptm -52.3 -24.33 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -71.24 -45.62 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.3 m -49.56 -44.75 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -75.8 -47.18 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.94 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.88 -56.03 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.35 80.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.493 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 10.1 mt -54.56 -65.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 933' ' ' VAL . . . -38.95 -45.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.4 t -68.98 -53.07 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -41.14 -62.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -50.02 -36.25 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.4 tptt -63.1 -46.21 88.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.92 -39.97 72.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' 1038 ' ' VAL . 8.5 tt -49.17 -57.8 6.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.68 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -73.17 -39.23 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 47.7 t0 -45.64 -51.53 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' 1035 ' ' LEU . 12.3 p -63.27 -34.71 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.536 ' CG1' ' CD1' ' A' ' 984' ' ' ILE . 11.4 mt -63.16 -50.12 80.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -45.81 47.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.5 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.2 OUTLIER -65.62 -21.56 66.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.58 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -83.51 -56.72 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.436 ' HG3' ' CE ' ' A' 1046 ' ' MET . 10.3 ttp180 -43.26 -42.68 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.6 pp -72.2 -36.55 69.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1042 ' ' ALA . 8.3 tmtt? -53.02 -20.79 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.436 ' CE ' ' HG3' ' A' 1043 ' ' ARG . 0.0 OUTLIER -89.03 -39.68 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1047 ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' 1046 ' ' MET . 3.2 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 2.7 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -48.45 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.87 -49.88 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.64 -49.12 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.573 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.8 m-30 -64.26 -37.36 87.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 928' ' ' ASN . 3.5 mm-40 -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . 0.43 ' HB2' ' CD1' ' A' ' 965' ' ' LEU . 15.3 m120 -40.38 -51.54 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 965' ' ' LEU . 60.8 t -47.59 -62.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.4 p -61.21 -60.92 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -38.35 -50.96 2.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.17 -50.39 48.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' 1032 ' ' ALA . 2.1 t -52.21 -32.68 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.6 -50.5 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -64.18 -42.74 96.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.7 t -38.96 -49.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.0 mt -84.92 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.69 -42.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 13.6 ttm -46.44 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.3 m -38.16 -35.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -51.08 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.63 26.91 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.524 ' CG2' ' CD ' ' A' 1018 ' ' LYS . 0.3 OUTLIER -93.93 -51.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.0 tt0 -45.85 -51.86 28.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.99 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.89 131.39 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.447 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.0 -16.82 20.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.4 -18.86 29.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.2 tp10 -106.19 -4.76 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' 1002 ' ' MET . 1.1 t80 -91.95 -43.6 9.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -54.55 -47.17 98.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -74.95 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 953' ' ' PRO . 1.6 tmm? -32.58 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' 1002 ' ' MET . 75.9 t -67.68 -54.62 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -46.75 -36.69 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -53.09 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 962' ' ' LEU . 2.2 t -43.5 -57.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.6 -44.85 8.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.45 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 995' ' ' LEU . 1.1 mt -56.94 -47.38 80.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.24 -53.81 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 1.2 m -58.5 -27.44 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 10.0 tp -59.64 -44.25 93.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.99 -49.56 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.35 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 38.0 p -45.71 -47.52 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 39.7 t -57.14 -41.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.412 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 10.5 t0 -49.25 -35.24 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.511 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 11.8 mt-10 -79.88 -24.06 41.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.6 OUTLIER -86.13 -28.54 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.518 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.17 -50.8 14.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.04 -35.69 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.423 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 17.5 t -47.43 -33.22 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.9 OUTLIER -109.46 159.61 30.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 981' ' ' HIS . 18.3 Cg_endo -75.0 175.14 11.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -81.14 49.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -20.78 8.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.998 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.615 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 1.8 t -116.77 -9.58 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 977' ' ' PRO . 13.8 m170 -48.31 -59.45 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -44.31 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 987' ' ' ALA . 7.7 mt-10 -49.32 -47.63 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 980' ' ' THR . 12.8 mt -51.1 -49.54 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -50.06 57.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.9 mtm -72.51 -28.19 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.52 -37.75 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.56 -44.73 81.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.28 68.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -56.75 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.443 ' HG ' ' CD2' ' A' ' 962' ' ' LEU . 10.3 tp -56.03 -59.32 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -45.31 -45.78 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.474 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 0.8 OUTLIER -49.48 -32.57 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -58.67 -60.74 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.5 -54.57 35.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -52.96 -23.7 7.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.24 -48.2 71.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.485 ' CD1' HD11 ' A' ' 995' ' ' LEU . 4.2 mp -62.73 -59.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.2 -43.63 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -63.04 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -51.67 -26.42 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.6 mtpt -59.51 -43.87 93.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' 1008 ' ' TYR . 12.1 mt -78.54 -29.56 46.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -55.31 -27.0 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CG2' ' A' ' 952' ' ' VAL . 0.5 OUTLIER -93.3 -18.77 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -100.23 -1.21 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.633 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 5.4 m-85 -110.75 -16.02 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' 1010 ' ' MET . 2.2 p -67.55 -26.95 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -33.43 -45.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' 1012 ' ' SER . 9.7 t -97.84 -56.91 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.4 t 152.33 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' 1016 ' ' GLU . 1.0 OUTLIER -83.61 -19.73 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' 1018 ' ' LYS . 2.8 tt0 -36.84 -67.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' 1014 ' ' GLN . 1.9 pp0? -33.85 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' 1013 ' ' LEU . 16.7 tt0 -73.14 -68.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.633 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 7.8 m-85 -59.62 -13.82 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.08 -56.81 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1019 ' ' LYS . . . . . 0.439 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 3.4 mmpt? -57.01 -33.67 67.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -63.88 -55.35 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 2.0 mmm -43.61 -38.68 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 940' ' ' SER . 3.0 tm? -64.07 -47.88 78.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -41.54 -48.43 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.0 61.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.87 -35.14 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -63.9 -55.99 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.639 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.38 84.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 998' ' ' LEU . 11.2 mt -58.16 -65.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.57 -40.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.9 t -74.18 -54.48 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -42.02 -56.34 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 933' ' ' VAL . . . -56.9 -37.01 70.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -67.14 -59.79 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -43.27 -32.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.4 -69.1 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -43.9 -46.38 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 85.3 t -66.56 -34.76 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' 1036 ' ' LEU . 9.0 mt -65.55 -51.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 6.3 t0 -46.68 -46.6 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.503 ' O ' ' CD1' ' A' 1044 ' ' LEU . 28.2 tt0 -68.7 -25.94 65.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.82 -29.04 32.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' 1039 ' ' ILE . 0.8 OUTLIER -57.37 -64.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' 1044 ' ' LEU . 0.0 OUTLIER -60.31 -26.02 66.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' 1041 ' ' GLN . 1.8 tttp -52.54 -26.85 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -21.98 30.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1047 ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 6.9 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 43.8 p-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 922' ' ' ASN . 0.9 OUTLIER -74.78 -26.86 60.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -76.28 -41.46 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 968' ' ' THR . 2.8 t -74.75 -36.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.5 m-30 -70.89 -23.2 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 961' ' ' ALA . 1.7 t-20 -46.05 -38.08 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.561 ' O ' ' CD1' ' A' ' 932' ' ' LEU . 1.9 t -58.65 -63.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.412 ' HB ' ' CE ' ' A' ' 934' ' ' LYS . 41.6 p -58.69 -30.19 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.65 -81.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.577 ' C ' ' CD2' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -50.5 -39.92 49.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.498 ' CG2' ' CB ' ' A' 1032 ' ' ALA . 2.5 t -56.13 -54.57 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.412 ' CE ' ' HB ' ' A' ' 930' ' ' THR . 19.2 mtmt -55.22 -39.8 70.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -67.91 -50.59 55.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 935' ' ' ALA . 56.3 t -34.89 -44.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.467 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.6 mp -83.97 -66.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -40.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.0 OUTLIER -51.86 -69.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.513 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 93.3 p -41.11 -33.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -46.47 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -105.9 23.51 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -92.96 -50.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -39.0 -53.08 3.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.06 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.469 ' HB2' ' HA ' ' A' ' 943' ' ' ILE . . . -36.23 125.49 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.48 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.02 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.03 -18.89 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.27 -14.04 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.493 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -113.43 -5.11 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.589 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.9 t80 -92.65 -36.61 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -51.87 -46.13 92.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.98 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.87 -55.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 999' ' ' ILE . 2.1 t -63.24 -49.55 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.95 -38.27 35.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.33 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.32 -49.26 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -59.26 -21.7 54.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.52 -43.97 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . . . -67.85 -43.96 78.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 962' ' ' LEU . 0.0 OUTLIER -64.03 -33.86 76.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . 0.413 ' N ' HD12 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -57.04 -57.62 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 18.9 m -52.27 -46.48 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 991' ' ' LEU . 1.7 tm? -46.47 -54.78 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 5.6 mp -42.57 -60.22 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.16 83.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.462 ' CG2' HG22 ' A' ' 925' ' ' VAL . 4.1 m -55.44 -45.48 76.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 972' ' ' SER . 98.8 t -53.35 -45.32 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -49.35 -41.82 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.443 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 43.2 tt0 -74.49 -23.15 58.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.424 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 12.1 t -86.7 -18.07 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -51.75 -53.16 53.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.55 3.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 48.4 t -47.82 -26.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.478 ' CD1' HG23 ' A' 1039 ' ' ILE . 0.4 OUTLIER -105.37 160.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.493 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -42.66 116.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.1 p 158.24 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.61 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 2.0 t -101.4 -0.43 35.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -62.12 -42.19 98.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' 1038 ' ' VAL . 11.6 mt-10 -51.12 -39.39 56.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 980' ' ' THR . 27.3 mt -55.66 -51.64 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.22 -51.2 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -28.47 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.19 -55.49 21.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -32.46 55.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' A' ' 994' ' ' ASP . 0.1 OUTLIER -58.61 -52.92 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 965' ' ' LEU . 13.9 tp -45.63 -60.23 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -54.3 -59.89 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -59.41 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.559 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.0 OUTLIER -57.38 -48.92 77.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.2 OUTLIER -51.35 -57.11 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.02 -44.35 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -37.57 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 995' ' ' LEU . 1.4 tt -78.31 -45.51 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.433 ' CD1' HG11 ' A' ' 955' ' ' VAL . 39.9 mm -55.08 -43.47 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 27.5 t30 -66.71 -55.88 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 9.9 mmtm -39.88 -37.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' 1003 ' ' LYS . 0.1 OUTLIER -75.74 -47.04 27.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.433 ' HA ' ' CE ' ' A' 1002 ' ' MET . 0.7 OUTLIER -53.42 -23.01 8.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' 1007 ' ' GLN . 17.7 mt -90.72 -48.05 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.511 ' O ' ' CG1' ' A' 1009 ' ' VAL . . . -49.25 -25.53 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -67.46 -36.0 80.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1007 ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.0 OUTLIER -94.99 -28.85 14.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.77 ' CD2' ' CE1' ' A' 1017 ' ' TYR . 30.8 m-85 -92.75 36.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' 1005 ' ' ALA . 2.4 p -125.23 -42.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.86 57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.1 OUTLIER -177.23 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.9 OUTLIER 157.59 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.3 OUTLIER -44.18 -27.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.47 ' CG ' ' HE2' ' A' 1018 ' ' LYS . 0.5 OUTLIER -35.27 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -36.93 -35.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' 1013 ' ' LEU . 2.8 tt0 -68.43 -60.32 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.77 ' CE1' ' CD2' ' A' 1008 ' ' TYR . 4.4 m-85 -67.95 -13.34 62.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.47 ' HE2' ' CG ' ' A' 1014 ' ' GLN . 4.7 tptt -68.61 -50.37 52.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -40.21 96.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -56.24 -52.97 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.442 ' CE ' HD12 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -47.55 -46.23 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -53.32 -54.07 41.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.7 m -38.28 -50.87 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.64 -53.09 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1025 ' ' ALA . . . . . 0.407 ' CB ' HG11 ' A' ' 936' ' ' VAL . . . -47.62 -26.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.16 -57.61 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -71.29 -34.69 70.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.559 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.9 OUTLIER -61.34 -63.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 937' ' ' ILE . . . -42.43 -41.04 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.0 t -73.15 -51.68 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.58 -55.25 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.498 ' CB ' ' CG2' ' A' ' 933' ' ' VAL . . . -55.68 -41.59 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 15.5 mmtt -63.3 -45.34 91.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 18.3 t30 -56.32 -27.83 56.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.512 ' O ' ' CG1' ' A' 1038 ' ' VAL . 1.0 OUTLIER -63.36 -62.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.527 HD23 ' CD1' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -66.6 -37.87 85.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -39.76 -63.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' 1035 ' ' LEU . 2.9 p -52.99 -41.49 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.478 HG23 ' CD1' ' A' ' 976' ' ' LEU . 4.5 mt -59.73 -48.7 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.478 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.2 OUTLIER -63.49 -25.32 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -77.35 -55.91 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -36.84 -57.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -52.83 -48.59 66.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' 1044 ' ' LEU . 7.6 tmtm? -39.88 -30.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.493 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 16.8 ttp -91.06 -51.93 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 5.8 t30 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.46 -39.76 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -55.23 -71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.476 HG22 ' CG2' ' A' ' 968' ' ' THR . 86.5 t -44.34 -53.37 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.9 m-85 -53.06 -49.95 65.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 928' ' ' ASN . 0.7 OUTLIER -65.67 -63.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 927' ' ' GLU . 34.2 m120 -38.81 -40.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 965' ' ' LEU . 2.2 t -58.59 -66.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.513 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 80.8 p -45.05 -54.9 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.83 -32.7 48.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.57 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -74.61 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.47 ' CG1' ' HB1' ' A' 1032 ' ' ALA . 30.0 m -57.04 -51.78 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 930' ' ' THR . 2.0 mmpt? -42.93 -44.3 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -73.24 -50.38 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 935' ' ' ALA . 9.1 t -35.68 -41.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 938' ' ' GLU . 26.5 mt -84.65 -67.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.49 -47.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.497 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.3 ttp -47.07 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.531 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 34.1 m -39.51 -34.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -50.97 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.65 28.19 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.01 -51.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.27 -51.38 34.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -36.32 127.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.05 -13.98 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.42 -20.2 23.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -107.74 -9.63 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.582 ' CE1' HG21 ' A' ' 955' ' ' VAL . 3.5 t80 -90.67 -41.34 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.541 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -44.7 -49.69 26.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -30.08 -50.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.582 HG21 ' CE1' ' A' ' 951' ' ' TYR . 14.3 t -68.88 -54.76 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 953' ' ' PRO . 5.3 mmtp -39.85 -31.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.45 -57.77 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -49.99 -44.61 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.71 -37.33 68.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -51.1 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -47.67 -56.75 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.408 HD23 ' CD1' ' A' ' 991' ' ' LEU . 1.6 mt -52.26 -49.24 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.29 -57.2 12.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.0 m -56.4 -46.76 79.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 929' ' ' VAL . 0.8 OUTLIER -49.58 -49.57 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -57.88 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 970' ' ' ASP . . . -55.84 -52.86 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.476 ' CG2' HG22 ' A' ' 925' ' ' VAL . 4.6 m -47.26 -47.41 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 972' ' ' SER . 55.3 t -55.84 -38.1 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.427 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 19.4 t0 -48.58 -45.59 38.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.481 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.5 mt-10 -69.01 -22.74 64.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.496 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.6 OUTLIER -85.81 -26.58 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.1 -51.28 7.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -74.95 -36.51 2.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.438 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 17.1 t -48.03 -33.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.5 OUTLIER -110.21 160.35 28.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.486 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 162.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -39.4 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 977' ' ' PRO . 0.3 OUTLIER -48.01 -22.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.671 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 18.1 p -98.8 30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 11.3 m170 -86.88 -99.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.557 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.472 ' HB3' ' CE ' ' A' ' 986' ' ' MET . 0.0 OUTLIER -54.16 -39.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.9 -42.78 72.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.556 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 1.3 mt -74.14 -36.05 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.13 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 986' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -68.31 -42.27 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' A' 1035 ' ' LEU . . . -74.39 -30.85 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . 0.412 ' CG ' HD23 ' A' 1035 ' ' LEU . 4.9 mt-30 -66.42 -54.75 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -53.87 -35.68 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -63.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.408 ' CD1' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.33 -49.56 23.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -60.19 -49.93 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.74 -64.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.467 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.6 OUTLIER -56.22 -34.33 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -54.32 -58.37 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.61 19.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -35.45 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -50.05 58.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 11.1 mm -55.15 -44.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1001 ' ' LYS . 1.1 t-20 -64.49 -52.6 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.0 OUTLIER -39.21 -36.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1002 ' ' MET . . . . . . . . . . . . . 7.0 tmm? -74.86 -49.81 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -53.43 -23.27 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.404 ' HB3' ' CE2' ' A' 1008 ' ' TYR . 20.1 mt -90.87 -48.07 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -61.42 -13.99 24.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.405 ' NE2' HG22 ' A' ' 952' ' ' VAL . 0.3 OUTLIER -85.57 -30.3 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -102.31 -4.3 25.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.738 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 2.8 m-85 -105.0 -20.88 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1009 ' ' VAL . . . . . . . . . . . . . 1.6 p -58.84 -39.32 77.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -29.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' 1012 ' ' SER . 8.9 t -105.63 -142.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.432 ' N ' ' OG1' ' A' 1011 ' ' THR . 37.6 m -113.16 -21.9 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' 1017 ' ' TYR . 0.2 OUTLIER -44.12 -26.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' 1018 ' ' LYS . 1.0 OUTLIER -37.41 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' 1014 ' ' GLN . 2.9 pt20 -37.47 -37.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.6 OUTLIER -69.53 -61.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.738 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 14.1 m-85 -60.6 -19.96 59.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.437 ' HE3' ' CD1' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -68.1 -43.34 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -37.91 89.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -55.95 -47.36 77.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -47.84 72.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -50.86 -47.04 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.3 m -47.3 -52.01 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.99 99.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -56.12 -30.13 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 67.5 t60 -72.3 -54.83 8.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.66 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 10.6 mt -56.97 -66.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.52 -44.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' 1033 ' ' LYS . 13.6 t -69.86 -55.97 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -41.02 -56.29 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.47 ' HB1' ' CG1' ' A' ' 933' ' ' VAL . . . -59.77 -36.81 77.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.2 OUTLIER -61.67 -66.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1034 ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' 1038 ' ' VAL . 4.6 m-20 -38.5 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 987' ' ' ALA . 0.6 OUTLIER -59.07 -69.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -71.53 -44.22 65.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1037 ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' 1033 ' ' LYS . 6.3 t0 -41.73 -41.48 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' 1034 ' ' ASN . 49.0 t -71.97 -40.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' 1036 ' ' LEU . 22.2 mt -55.46 -56.81 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.27 -44.71 16.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1041 ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -75.49 -24.85 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.671 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -75.32 -51.38 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -47.6 -59.83 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' 1045 ' ' LYS . 4.0 pp -54.19 -34.44 60.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.427 ' N ' HD11 ' A' 1044 ' ' LEU . 0.2 OUTLIER -52.31 -22.55 4.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' 1047 ' ' ILE . 0.2 OUTLIER -92.21 -38.93 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1047 ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' 1046 ' ' MET . 5.3 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' A' ' 926' ' ' TYR . 19.1 t-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 925' ' ' VAL . 0.4 OUTLIER -75.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -41.46 -31.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.404 ' N ' ' C ' ' A' ' 923' ' ' ASP . 21.1 t -78.16 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 4.7 m-30 -54.22 -28.49 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.41 -64.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.95 -36.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.04 -65.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 934' ' ' LYS . 66.6 p -56.58 -63.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.365 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.06 -54.23 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -64.26 -48.89 74.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.4 t -60.09 -33.68 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.3 OUTLIER -57.99 -39.32 77.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.74 -40.94 32.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.7 t -39.19 -45.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.3 mp -84.83 -65.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -34.91 -41.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 942' ' ' LYS . 31.9 ttm -46.72 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.565 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 16.7 t -44.28 -31.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -43.33 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -111.9 27.6 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.578 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.38 -50.41 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -46.61 -51.87 34.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.0 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -35.79 126.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.467 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.97 177.57 8.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -75.0 -16.53 20.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -17.31 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.235 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.42 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -110.19 -3.62 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.578 ' CE1' HD13 ' A' ' 943' ' ' ILE . 12.6 t80 -93.73 -42.86 8.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -51.77 -46.51 91.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.97 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.454 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 5.2 ttp -37.04 -43.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 999' ' ' ILE . 11.6 t -71.5 -56.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.75 -43.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -58.14 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 961' ' ' ALA . 50.9 t -48.08 -56.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.18 -38.5 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 958' ' ' VAL . . . -64.82 -43.04 94.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.474 HD11 ' CD2' ' A' ' 932' ' ' LEU . 3.6 mm? -60.04 -46.5 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 963' ' ' ARG . 0.0 OUTLIER -59.73 -53.41 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 6.9 m -55.46 -34.92 64.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 2.0 tt -60.34 -41.54 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.05 -43.96 78.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -58.96 -66.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 76.2 p -40.51 -43.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 58.6 t -53.62 -48.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 967' ' ' ALA . 28.1 t70 -48.62 -37.07 17.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.441 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 8.1 mt-10 -79.12 -24.46 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.453 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.1 OUTLIER -86.28 -17.35 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -53.79 -53.68 54.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.5 Cg_endo -74.92 -33.76 4.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 42.5 t -48.95 -26.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' 1043 ' ' ARG . 0.3 OUTLIER -107.69 155.47 39.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.7 5.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.61 108.57 10.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.82 -34.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.623 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 5.1 t -111.37 53.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -83.03 -92.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 985' ' ' GLU . 27.0 ttm180 -43.93 -54.7 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -40.15 -48.24 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.476 ' CD1' ' CG1' ' A' 1039 ' ' ILE . 0.4 OUTLIER -63.78 -44.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -62.58 -38.55 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 5.7 mtp -71.43 -23.69 61.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -79.64 -20.82 45.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -75.88 -46.86 27.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -41.72 83.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 962' ' ' LEU . 1.5 tt -62.59 -54.01 46.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -61.6 -35.51 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -66.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.469 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.4 OUTLIER -52.6 -34.98 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.5 OUTLIER -54.99 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.18 -53.11 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.55 -35.12 73.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 995' ' ' LEU . 7.5 tt -69.82 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.478 HD13 ' CG1' ' A' ' 955' ' ' VAL . 19.3 mm -60.68 -54.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.1 t30 -52.71 -26.65 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' 1003 ' ' LYS . 0.0 OUTLIER -50.16 -23.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' 1002 ' ' MET . 3.1 mtpt -70.79 -52.36 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.03 -41.42 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -44.31 -44.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 32.6 mm-40 -47.2 -33.44 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -37.46 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.593 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 55.3 m-85 -87.22 40.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' 1011 ' ' THR . 2.6 p -129.1 -44.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.524 ' O ' ' CB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -63.02 71.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER 164.77 -56.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.8 OUTLIER 155.63 -23.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.3 OUTLIER -39.89 -29.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' 1012 ' ' SER . 33.5 tt0 -37.49 -58.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -36.83 -40.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.8 OUTLIER -66.88 -68.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.593 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 3.9 m-85 -55.01 -24.4 24.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.445 ' O ' ' NZ ' ' A' 1018 ' ' LYS . 0.2 OUTLIER -59.9 -50.78 72.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1019 ' ' LYS . . . . . 0.425 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -58.48 -36.55 73.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -62.18 -55.32 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -41.17 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.32 -44.19 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 25.2 m -47.96 -49.77 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.14 83.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -53.85 -34.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 4.8 t60 -69.28 -55.86 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.18 -34.68 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 9.4 mt -56.08 -66.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.18 -40.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.2 t -72.89 -52.0 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -42.21 -58.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.99 -35.46 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.4 OUTLIER -67.1 -60.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -41.61 -31.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 987' ' ' ALA . 6.1 tt -61.75 -70.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.673 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.6 -39.86 81.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.03 -56.01 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 80.2 t -57.38 -37.93 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.492 HG22 ' CD1' ' A' ' 976' ' ' LEU . 4.0 mt -64.06 -42.67 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.65 -38.92 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 14.0 mt-30 -74.5 -26.08 59.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.623 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.31 -43.38 19.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.552 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 3.3 ttm180 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.493 ' HA ' ' CG1' ' A' 1047 ' ' ILE . 4.1 pp -62.61 -38.26 89.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.435 ' N ' HD13 ' A' 1044 ' ' LEU . 0.3 OUTLIER -47.93 -24.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.2 OUTLIER -85.98 -29.9 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1047 ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.7 mm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -37.25 60.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -53.99 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 972' ' ' SER . 91.5 t -49.13 -61.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 5.3 m-85 -52.52 -30.95 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.56 -47.66 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 932' ' ' LEU . 0.9 OUTLIER -59.02 -58.44 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 933' ' ' VAL . 3.1 t -42.27 -53.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.5 p -61.08 -55.75 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -55.24 -25.58 40.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -81.66 -63.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 929' ' ' VAL . 6.1 m -57.68 -31.01 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.3 mmmt -63.07 -46.44 87.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -72.47 -45.25 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.452 ' CG2' HD11 ' A' ' 932' ' ' LEU . 3.5 t -40.56 -49.95 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 938' ' ' GLU . 66.9 mt -73.86 -62.74 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -34.03 -45.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.9 ttp -44.59 -69.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.548 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 7.9 p -41.75 -37.27 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.6 t -60.83 -43.72 97.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -112.89 30.12 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.598 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.97 -50.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.6 OUTLIER -43.76 -53.61 12.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.02 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.36 127.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.455 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.04 177.02 9.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -74.97 -16.34 20.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.18 -22.08 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.433 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -104.19 -3.95 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.598 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.7 t80 -93.0 -42.28 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -49.53 -47.08 78.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -33.99 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 999' ' ' ILE . 2.2 t -51.84 -52.02 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -38.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.4 OUTLIER -60.45 -54.6 43.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 14.2 t -40.07 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.93 93.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -54.9 -45.8 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -53.15 -47.66 68.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -55.88 -54.22 47.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -52.94 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 964' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 968' ' ' THR . 2.0 m -64.88 -33.74 76.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.4 OUTLIER -57.28 -46.64 82.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.49 -52.46 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.52 33.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 964' ' ' THR . 62.6 p -54.35 -35.9 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 45.9 t -63.16 -44.04 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t70 -49.56 -40.27 37.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.496 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 28.3 mt-10 -78.01 -22.36 49.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 32.6 t -85.66 -24.34 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.588 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -47.61 -52.62 36.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 972' ' ' SER . 7.0 t -47.11 -28.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.9 mm? -107.45 149.51 38.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 978' ' ' ALA . 18.4 Cg_endo -74.97 67.85 5.83 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . 36.13 -151.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -57.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.481 HG22 ' CB ' ' A' 1042 ' ' ALA . 1.4 t -76.19 -5.87 48.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.588 ' CD2' HD22 ' A' ' 973' ' ' LEU . 23.5 m170 -50.12 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.22 -68.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 987' ' ' ALA . 21.5 mt-10 -55.5 -39.9 71.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 980' ' ' THR . 9.9 mt -58.31 -45.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.56 -24.43 56.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -73.08 -29.37 62.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -73.63 -44.55 56.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -31.43 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 53.5 tp -42.47 -48.57 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 995' ' ' LEU . 0.5 OUTLIER -61.62 -62.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.82 -54.36 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' 1028 ' ' LEU . 1.1 m-20 -63.17 -29.85 71.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 962' ' ' LEU . 1.1 tp -68.63 -57.95 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.45 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.03 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 995' ' ' LEU . 8.3 tt -72.5 -42.22 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.468 ' CG1' HD12 ' A' ' 995' ' ' LEU . 4.6 mm -55.51 -46.84 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' 1001 ' ' LYS . 66.1 t30 -59.69 -54.6 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' 1000 ' ' ASN . 16.7 mmtt -39.82 -33.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 2.4 ttp -79.9 -54.48 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -25.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' 1002 ' ' MET . 14.8 mt -86.47 -54.53 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -45.05 -40.51 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.439 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 3.8 tp-100 -46.83 -42.33 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -98.77 -24.74 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.622 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 10.0 m-85 -91.54 30.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.412 HG23 ' NE2' ' A' 1014 ' ' GLN . 11.3 p -118.97 -52.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.426 ' CE ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -54.06 -40.99 67.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.929 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER -50.84 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.4 p 157.14 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.07 56.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' 1016 ' ' GLU . 2.4 tp-100 -86.36 -76.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -39.87 -29.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -72.15 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 4.6 m-85 -66.86 -14.85 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -44.43 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.59 -33.67 76.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.18 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.2 ptm -56.8 -24.6 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' 1021 ' ' MET . 3.1 tm? -71.17 -52.98 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -43.08 -44.76 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.24 60.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.95 -29.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.91 -59.97 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.65 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.81 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' A' ' 994' ' ' ASP . 0.6 OUTLIER -59.03 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -41.39 -42.52 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 14.6 t -69.83 -44.14 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 1028 ' ' LEU . 39.6 t0 -45.71 -55.85 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.36 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 3.1 tttt -66.79 -43.94 82.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -54.19 -40.08 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.35 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.61 -39.51 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -41.17 -48.6 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 41.9 t -64.98 -39.39 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' 1036 ' ' LEU . 8.5 mt -59.68 -50.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 10.5 t0 -46.03 -43.66 14.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' 1044 ' ' LEU . 15.8 tt0 -61.95 -33.56 74.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.481 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -79.24 -29.3 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.82 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' 1044 ' ' LEU . 0.0 OUTLIER -57.3 -27.62 62.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.443 ' N ' HD21 ' A' 1044 ' ' LEU . 0.7 OUTLIER -51.79 -22.04 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 13.3 ttp -78.77 -46.13 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -22.95 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -63.21 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.24 -38.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.517 ' CD2' HD23 ' A' 1036 ' ' LEU . 3.5 m-85 -70.85 -18.82 62.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.4 OUTLIER -75.03 -69.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -41.49 -45.63 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 54.5 t -52.45 -57.24 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 931' ' ' GLY . 1.3 p -67.64 -60.78 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -36.69 -48.83 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -71.74 -50.12 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . . . . . . . . . 1.5 t -50.94 -41.27 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 23.7 mttt -61.54 -48.32 81.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -59.65 -48.25 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 932' ' ' LEU . 2.4 t -38.51 -47.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.6 mp -84.02 -62.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -33.09 -49.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 943' ' ' ILE . 2.9 ttp -44.6 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.536 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -38.68 -36.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.2 m -61.0 -50.44 73.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -106.92 28.71 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.53 -51.86 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.7 mt-30 -46.04 -51.47 31.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.99 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.46 130.51 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.422 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.01 176.17 10.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.98 -13.8 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.24 -23.01 22.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -103.92 -4.85 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.599 ' CD1' HD11 ' A' ' 943' ' ' ILE . 10.1 t80 -94.12 -41.14 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.599 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -50.72 -46.93 86.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.1 Cg_endo -75.02 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -34.95 -66.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' 1002 ' ' MET . 0.9 OUTLIER -54.87 -52.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -30.77 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.61 69.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.03 -46.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.98 94.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -57.36 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.72 -47.56 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 991' ' ' LEU . 0.3 OUTLIER -57.32 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -55.0 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 17.7 m -62.02 -42.58 99.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -48.04 47.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 2.7 mp -52.02 -60.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.23 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 28.2 m -52.38 -40.15 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 16.7 t -63.69 -35.75 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.407 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.2 t70 -52.32 -40.41 61.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.5 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 11.6 mt-10 -71.8 -20.71 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.19 -30.68 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.511 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -39.77 -51.6 5.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.21 3.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 972' ' ' SER . 36.0 t -47.25 -27.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.4 mm? -109.87 158.78 33.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -164.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.25 174.99 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 21.94 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.582 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 0.2 OUTLIER -114.89 -56.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.537 ' CD2' ' N ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -48.52 -23.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.582 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 980' ' ' THR . 0.2 OUTLIER -68.34 -79.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.23 -21.15 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.481 HD12 ' CG1' ' A' 1039 ' ' ILE . 2.4 mt -73.34 -38.34 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.5 OUTLIER -62.89 -41.19 99.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.5 -26.47 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -81.32 -24.83 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.76 -44.12 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -37.62 87.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -49.01 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 962' ' ' LEU . 11.8 tp -54.82 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -49.81 -42.25 46.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.16 -69.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.5 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 1.2 m-20 -52.69 -36.11 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 999' ' ' ILE . 0.2 OUTLIER -54.44 -59.21 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -47.87 -50.6 25.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -59.71 -30.31 68.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.419 ' CD1' HD12 ' A' ' 999' ' ' ILE . 0.1 OUTLIER -73.61 -47.46 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.476 ' CG1' HD13 ' A' ' 995' ' ' LEU . 48.7 mm -49.51 -49.19 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -66.12 -36.74 83.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.79 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.479 ' HB2' ' CG2' ' A' ' 955' ' ' VAL . 1.6 ttp -81.13 -38.86 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.62 -53.72 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' 1017 ' ' TYR . 4.6 pp -64.44 -35.87 82.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -71.77 -6.65 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -17.31 17.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -38.41 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.793 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.1 m-85 -72.05 -17.87 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' 1010 ' ' MET . 2.2 p -40.15 -67.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.461 ' CE ' ' N ' ' A' 1011 ' ' THR . 0.4 OUTLIER -43.62 -59.48 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 111.052 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.58 ' O ' ' CB ' ' A' 1012 ' ' SER . 90.1 m -36.66 -79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.3 m 152.72 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.9 OUTLIER -61.78 -12.16 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' 1013 ' ' LEU . 17.7 tt0 -34.68 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -41.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' 1013 ' ' LEU . 7.9 tt0 -64.52 -51.42 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 25.7 m-85 -68.92 -27.16 65.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1014 ' ' GLN . 20.7 mmtm -65.37 -43.55 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.61 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -51.01 -51.98 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 2.3 tmm? -47.82 -57.11 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -41.87 -49.41 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -46.29 -51.51 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.26 96.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -50.25 -35.01 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.59 -55.86 17.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.611 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.41 81.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.5 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 8.8 mt -56.08 -67.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.95 -43.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' 1033 ' ' LYS . 39.0 t -69.23 -49.43 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' 1028 ' ' LEU . 67.2 m-20 -43.88 -64.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.85 -25.5 29.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.1 OUTLIER -72.26 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -40.07 -31.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' 1033 ' ' LYS . 3.2 tp -61.97 -70.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.74 -38.81 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.42 -43.08 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 24.6 t -71.16 -33.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' 1036 ' ' LEU . 25.9 mt -63.28 -48.94 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -45.04 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.476 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 6.1 mt-30 -73.83 -20.74 60.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.234 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.582 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.36 -55.17 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -45.04 -42.71 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.4 pp -72.06 -33.04 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' 1042 ' ' ALA . 5.7 tmtm? -50.71 -21.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 26.3 ttp -91.51 -26.14 18.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1047 ' ' ILE . . . . . 0.476 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.6 mm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -38.12 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 1.7 tptp -60.04 -46.91 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.491 ' HA ' ' CG2' ' A' ' 968' ' ' THR . 4.2 t -63.82 -41.04 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.561 ' CD1' HD22 ' A' 1036 ' ' LEU . 4.5 m-30 -70.37 -15.43 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 930' ' ' THR . 9.4 mm-40 -82.46 -66.61 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 924' ' ' LYS . 9.1 m120 -40.67 -41.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.78 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.509 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.7 p -47.79 -48.83 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -59.62 -23.92 59.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -79.82 -58.05 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' 1032 ' ' ALA . 15.7 m -65.49 -27.74 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -67.18 -38.57 85.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -74.54 -55.15 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' 1028 ' ' LEU . 0.4 OUTLIER -39.34 -35.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 938' ' ' GLU . 20.6 mt -85.02 -66.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -32.69 -54.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 8.7 ttm -41.21 -65.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.534 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 18.8 p -39.98 -38.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -60.53 -46.7 89.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -109.39 28.85 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.59 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -94.93 -52.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.24 -54.45 5.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.97 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -30.75 129.66 0.26 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.08 -13.98 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.64 -30.36 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.471 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -93.52 -5.79 48.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.9 -43.86 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.15 -47.94 55.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.06 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -34.17 -51.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 951' ' ' TYR . 18.6 t -66.67 -47.27 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -45.82 -39.77 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 960' ' ' LEU . 7.0 tt0 -59.74 -61.54 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 83.1 t -41.68 -34.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.9 83.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -55.36 -40.95 71.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -57.29 -41.43 79.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 -51.64 69.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -58.51 5.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 55.5 m -60.09 -46.07 90.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 1.2 tm? -47.47 -46.8 27.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -64.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.09 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.491 ' CG2' ' HA ' ' A' ' 925' ' ' VAL . 1.8 m -51.17 -37.03 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 61.4 t -65.26 -40.71 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.481 ' HA ' ' CD1' ' A' ' 973' ' ' LEU . 4.2 t70 -51.64 -32.52 29.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.485 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.5 mt-10 -73.39 -23.09 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.486 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.0 OUTLIER -85.53 -28.86 24.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -40.44 -51.58 6.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.486 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 51.4 t -53.56 -34.54 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.2 mm? -109.03 157.39 37.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.415 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.3 Cg_endo -74.97 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.449 ' O ' ' NZ ' ' A' 1045 ' ' LYS . . . -69.63 166.01 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 76.97 31.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.633 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -116.85 -60.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 985' ' ' GLU . 1.6 p80 -44.88 -49.03 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -48.55 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.414 ' CB ' HG12 ' A' 1038 ' ' VAL . 7.4 mt-10 -51.69 -43.81 62.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 980' ' ' THR . 84.3 mt -57.52 -32.88 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -64.85 -41.67 95.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.0 mtm -71.99 -18.44 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.94 -24.12 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -74.84 -40.31 61.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -37.21 67.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -41.57 77.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.443 ' CD1' HD22 ' A' 1028 ' ' LEU . 8.8 tp -66.71 -60.11 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.12 -48.52 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 3.3 t -47.09 -71.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.474 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 5.7 m-20 -50.96 -36.64 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.3 OUTLIER -55.11 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.03 -51.47 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.62 -43.06 84.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.94 -44.85 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.41 HD13 ' CG1' ' A' ' 955' ' ' VAL . 33.1 mm -52.14 -45.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' 1001 ' ' LYS . 11.3 t-20 -71.26 -46.48 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' 1000 ' ' ASN . 14.3 mmtp -39.02 -36.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' 1002 ' ' MET . 13.4 tmm? -75.93 -55.52 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -49.6 -30.42 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' 1007 ' ' GLN . 21.7 mt -82.66 -61.81 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.456 ' O ' ' CG1' ' A' 1009 ' ' VAL . . . -44.65 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.414 ' HG2' ' CB ' ' A' ' 948' ' ' PRO . 0.1 OUTLIER -52.12 -36.38 51.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1007 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1004 ' ' LEU . 6.3 tt0 -97.78 -31.64 12.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.637 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 50.8 m-85 -88.46 30.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' 1005 ' ' ALA . 7.5 p -121.01 -49.27 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.485 ' CE ' HG22 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.84 51.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.485 HG22 ' CE ' ' A' 1010 ' ' MET . 1.1 p -145.86 -66.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 5.1 p 167.87 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.402 HD12 ' CD1' ' A' 1017 ' ' TYR . 0.8 OUTLIER -81.62 51.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.63 -65.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -47.64 -24.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -68.23 -59.74 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -74.22 -30.66 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.75 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -48.68 78.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -43.07 -53.64 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -44.72 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 940' ' ' SER . 2.4 tm? -56.14 -47.82 77.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.7 m -42.61 -54.71 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.4 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.8 93.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.39 -37.67 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -57.06 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.16 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 7.6 mt -56.21 -65.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -39.5 -40.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 14.9 t -71.81 -52.08 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -43.38 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.464 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.17 -32.99 62.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -66.42 -50.44 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.66 -23.28 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.26 -68.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.39 -40.54 96.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.6 -51.32 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.414 HG12 ' CB ' ' A' ' 983' ' ' GLU . 11.1 t -62.3 -38.53 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' 1036 ' ' LEU . 12.2 mt -64.35 -41.71 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -39.14 62.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 1.9 mt-30 -77.85 -18.54 56.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.633 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -84.36 -44.7 13.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -56.99 -39.81 75.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.5 pp -74.25 -32.0 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -50.16 -21.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' 1044 ' ' LEU . 21.0 ttp -91.09 -25.66 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1047 ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.5 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -42.67 58.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 0.5 OUTLIER -41.02 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 972' ' ' SER . 65.1 t -48.76 -62.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.712 ' CE1' ' CD2' ' A' 1036 ' ' LEU . 0.2 OUTLIER -38.87 -62.59 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 928' ' ' ASN . 2.1 mm-40 -42.57 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 927' ' ' GLU . 14.1 m120 -39.58 -65.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 928' ' ' ASN . 84.7 t -39.93 -59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 2.0 m -55.34 -61.8 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 932' ' ' LEU . . . -43.88 -73.96 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -37.8 -39.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' 1032 ' ' ALA . 1.0 OUTLIER -69.98 -56.3 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 931' ' ' GLY . 0.2 OUTLIER -52.32 -21.45 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -85.12 -49.61 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.419 HG22 ' CB ' ' A' 1028 ' ' LEU . 0.3 OUTLIER -39.77 -38.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.7 mt -83.91 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.88 -47.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 943' ' ' ILE . 28.3 ttm -49.14 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.533 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 4.9 m -41.57 -36.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.93 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -111.17 28.1 9.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.602 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -95.06 -49.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.23 -53.08 24.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -35.39 124.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 176.84 9.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.451 ' O ' ' NE2' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.99 -14.36 21.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 -14.78 36.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.501 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 3.7 tt0 -114.66 -9.53 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.602 ' CE1' HD11 ' A' ' 943' ' ' ILE . 8.7 t80 -89.62 -37.7 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.582 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -48.83 -48.02 71.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -29.06 -65.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.578 HG22 ' CE1' ' A' ' 951' ' ' TYR . 2.5 t -58.86 -47.96 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.56 -39.65 35.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -41.03 87.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.434 HG12 ' CD1' ' A' ' 995' ' ' LEU . 97.8 t -57.89 -36.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.75 -44.96 91.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -42.27 91.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.38 95.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.466 ' O ' ' CD1' ' A' ' 966' ' ' LEU . 0.0 OUTLIER -61.95 -46.98 86.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . 0.441 ' N ' HD23 ' A' ' 962' ' ' LEU . 3.3 mtt180 -50.8 -51.44 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.9 m -64.97 -35.06 79.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.9 OUTLIER -56.51 -38.56 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 6.8 mp -62.29 -50.48 71.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.87 -57.58 12.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 56.6 p -51.39 -39.96 58.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 15.8 t -56.35 -46.57 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -49.83 -41.34 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.481 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 2.5 tt0 -73.69 -22.08 60.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.23 -24.01 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.499 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -46.34 -53.01 25.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -31.79 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 972' ' ' SER . 11.1 t -47.12 -32.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.0 OUTLIER -110.12 154.31 42.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.455 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.5 Cg_endo -74.95 155.26 43.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -57.18 107.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.46 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.599 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 3.4 t -110.83 10.2 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -52.74 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -44.35 -58.7 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 987' ' ' ALA . 1.1 mt-10 -49.88 -47.19 52.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 980' ' ' THR . 4.3 mt -51.8 -50.59 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -44.05 87.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -26.58 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -70.78 -26.69 63.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -74.56 -48.91 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.97 -34.65 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -56.39 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 54.4 tp -51.09 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -43.47 -53.05 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.527 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 2.4 m-20 -50.24 -40.96 49.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.3 OUTLIER -54.27 -60.82 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.83 -53.36 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.69 -44.26 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' 1028 ' ' LEU . 1.9 tt -63.85 -43.99 94.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.458 HD13 ' CG1' ' A' ' 955' ' ' VAL . 14.2 mm -57.33 -48.15 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.44 -46.59 79.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -45.78 -45.02 14.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 4.9 ttp -64.3 -43.42 94.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.02 -27.73 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 43.9 mt -81.42 -58.78 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -40.84 -43.45 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 948' ' ' PRO . 1.1 tp60 -41.91 -43.51 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -34.14 10.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' 1017 ' ' TYR . 37.8 m-85 -87.72 39.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' 1014 ' ' GLN . 2.6 p -112.4 -45.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.525 ' C ' ' CE ' ' A' 1010 ' ' MET . 0.0 OUTLIER -86.98 57.98 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' 1013 ' ' LEU . 1.2 p -155.07 20.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1014 ' ' GLN . 0.9 OUTLIER 73.34 -54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -38.66 -26.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' 1012 ' ' SER . 0.4 OUTLIER -30.88 -69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.1 OUTLIER -36.62 -49.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' 1013 ' ' LEU . 6.9 tp10 -65.39 -59.24 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.705 ' CZ ' ' CG ' ' A' 1008 ' ' TYR . 0.4 OUTLIER -45.59 -37.29 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.48 ' CD ' ' HG2' ' A' 1014 ' ' GLN . 0.6 OUTLIER -59.72 -45.41 92.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 -40.83 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -53.75 -58.21 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -47.49 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' 1022 ' ' LEU . 1.9 tm? -52.77 -53.55 46.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.5 m -39.4 -51.95 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.69 76.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.85 -37.34 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -56.73 15.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.527 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 11.6 mt -58.59 -66.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.29 -38.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.7 t -76.82 -49.73 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1028 ' ' LEU . 35.8 t0 -44.61 -58.92 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 933' ' ' VAL . . . -58.38 -33.35 69.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' 1037 ' ' ASP . 0.0 OUTLIER -66.26 -57.36 7.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 12.4 t30 -46.88 -30.81 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.466 ' O ' ' CG1' ' A' 1038 ' ' VAL . 5.4 tt -59.25 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.712 ' CD2' ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -66.78 -35.4 79.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1037 ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' 1033 ' ' LYS . 30.5 t0 -47.78 -56.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.51 HG11 ' N ' ' A' 1039 ' ' ILE . 11.0 p -58.52 -32.12 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.51 ' N ' HG11 ' A' 1038 ' ' VAL . 6.9 mt -67.14 -45.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 7.5 t0 -48.62 -39.27 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.501 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 6.5 mt-30 -72.82 -26.89 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.44 -45.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -50.99 -47.56 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.3 pp -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.436 ' N ' HD13 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.55 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.5 OUTLIER -80.54 -55.47 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 924' ' ' LYS . 0.0 OUTLIER -75.53 -32.08 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 923' ' ' ASP . 2.3 ttmt -60.77 -58.15 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 929' ' ' VAL . 86.4 t -58.63 -41.11 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.619 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 3.2 m-85 -68.26 -19.77 64.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.7 OUTLIER -76.11 -68.19 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -44.13 -38.46 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 925' ' ' VAL . 78.1 t -58.07 -54.39 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' GLY . 4.9 p -73.62 -59.67 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.64 -49.01 0.99 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -71.52 -50.35 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -52.14 -35.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 0.1 OUTLIER -61.56 -47.73 84.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -65.05 -44.68 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 935' ' ' ALA . 14.4 t -39.9 -45.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 938' ' ' GLU . 1.7 mp -84.46 -63.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.4 -43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 942' ' ' LYS . 1.4 ttp -49.0 -71.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.538 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.9 t -40.04 -31.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.946 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.59 71.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -104.38 23.44 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.583 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.47 -51.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.31 -54.54 5.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.98 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.01 127.95 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.464 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -75.0 177.18 8.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.503 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.98 -20.15 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.81 -17.73 40.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.466 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -109.94 -2.87 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.583 ' CE1' HD13 ' A' ' 943' ' ' ILE . 6.5 t80 -92.31 -36.17 13.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.58 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -52.49 -47.36 93.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.505 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -30.71 -53.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.506 ' CG1' ' CD1' ' A' ' 999' ' ' ILE . 51.3 t -65.76 -52.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 953' ' ' PRO . 1.5 mmtt -40.14 -37.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -60.08 3.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.31 -42.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -56.6 -48.04 79.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -43.99 74.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.07 81.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 995' ' ' LEU . 1.6 mt -60.69 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.93 -55.72 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 -35.76 73.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.7 -53.92 45.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 8.2 mp -46.64 -55.61 7.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.8 87.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 925' ' ' VAL . 90.1 m -52.23 -47.1 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 973' ' ' LEU . 86.8 t -60.11 -38.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.414 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 9.0 t70 -50.08 -37.4 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.505 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.1 mt-10 -77.22 -23.29 51.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.76 -28.56 24.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.07 -50.92 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.94 -36.19 2.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 15.1 t -47.37 -30.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.3 mm? -109.08 159.86 29.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 979' ' ' SER . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -66.28 73.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 977' ' ' PRO . 19.3 t -147.6 -43.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.068 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.673 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 1.4 t -91.32 -7.37 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -54.01 -57.75 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.634 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.08 -66.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.34 -40.25 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' ' 980' ' ' THR . 14.0 mt -55.18 -49.06 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -23.0 61.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.62 69.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -62.18 -54.49 40.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -57.66 -26.62 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -53.65 35.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 11.2 tp -57.42 -50.63 72.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 993' ' ' SER . 0.9 OUTLIER -49.29 -59.52 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 993' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 992' ' ' ASN . 44.6 t -38.73 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.465 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 12.7 t0 -53.59 -40.62 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -50.02 -56.29 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.8 -40.99 70.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.47 -40.3 96.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.497 ' CD1' ' CD1' ' A' 1028 ' ' LEU . 3.2 tt -68.82 -35.96 77.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.506 ' CD1' ' CG1' ' A' ' 955' ' ' VAL . 32.6 mm -65.62 -43.1 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.516 ' O ' ' CD2' ' A' 1004 ' ' LEU . 35.0 t30 -68.13 -46.41 70.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -35.31 8.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -81.38 -26.06 35.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' 1002 ' ' MET . 8.3 mtmt -64.2 -50.13 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' 1000 ' ' ASN . 0.1 OUTLIER -66.0 -56.15 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' 1009 ' ' VAL . . . -42.15 -46.04 4.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 0.3 OUTLIER -40.81 -43.81 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -97.23 -29.33 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.763 ' CG ' ' CE2' ' A' 1017 ' ' TYR . 33.4 m-85 -89.63 26.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' 1014 ' ' GLN . 12.9 p -118.46 -51.18 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.447 ' HE3' ' CG2' ' A' 1011 ' ' THR . 0.0 OUTLIER -73.99 52.62 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.447 ' CG2' ' HE3' ' A' 1010 ' ' MET . 0.7 OUTLIER -144.9 -70.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' 1008 ' ' TYR . 0.2 OUTLIER -80.99 50.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.9 OUTLIER -85.16 -70.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -37.06 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.3 tp10 -72.18 -66.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.763 ' CE2' ' CG ' ' A' 1008 ' ' TYR . 4.6 m-85 -59.14 -21.52 59.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' 1018 ' ' LYS . 0.7 OUTLIER -71.64 -40.83 69.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -60.04 -60.34 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' 1022 ' ' LEU . 5.4 ptm -53.89 -24.09 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -73.81 -49.61 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 14.5 m -42.81 -51.72 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.29 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.38 -36.23 53.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -55.59 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.12 75.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.497 ' CD1' ' CD1' ' A' ' 998' ' ' LEU . 9.4 mt -58.67 -65.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 933' ' ' VAL . . . -39.62 -40.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.4 t -73.8 -49.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.89 -58.95 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.52 65.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -65.38 -62.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -40.42 -39.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.94 -67.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.619 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -64.39 -42.21 96.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1037 ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' 1036 ' ' LEU . 2.5 t70 -39.87 -52.5 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 65.4 t -61.07 -41.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' 1036 ' ' LEU . 10.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' 1044 ' ' LEU . 0.0 OUTLIER -73.48 -20.05 60.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.673 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -90.41 -39.08 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -51.42 -55.27 19.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.59 ' CD1' ' O ' ' A' 1041 ' ' GLN . 0.0 OUTLIER -66.64 -34.28 77.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.483 ' N ' ' CD1' ' A' 1044 ' ' LEU . 6.6 tmtm? -48.77 -27.01 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.8 ttm -81.88 -27.93 33.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1047 ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' 1044 ' ' LEU . 7.7 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 1.6 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.24 -45.49 39.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -53.36 58.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.435 ' O ' ' CG2' ' A' ' 929' ' ' VAL . 12.0 t -56.71 -47.14 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.4 m-85 -64.68 -28.8 69.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.36 -68.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -43.67 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.446 HG21 ' CD2' ' A' ' 965' ' ' LEU . 74.4 t -41.99 -59.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.7 p -66.72 -64.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.42 -47.57 0.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.32 -51.67 34.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -54.82 -29.78 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.05 -49.09 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.48 95.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . . . . . . . . . 41.1 t -40.24 -48.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 938' ' ' GLU . 1.4 mp -84.35 -61.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.4 OUTLIER -36.15 -49.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 29.4 ttm -47.66 -63.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.548 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 89.2 p -43.77 -33.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -40.19 93.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.8 OUTLIER -112.96 25.42 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.561 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.63 -48.57 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.15 -54.42 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -74.99 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -31.66 128.56 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.476 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.02 -15.83 20.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.64 -24.53 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.465 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -99.93 -5.23 28.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.561 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -92.81 -40.39 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -49.9 -46.83 81.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -75.01 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.511 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -33.41 -51.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.486 ' CG1' ' CD1' ' A' ' 999' ' ' ILE . 54.6 t -66.55 -50.04 70.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -45.2 -32.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -42.72 70.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.4 OUTLIER -55.0 -46.81 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.444 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -54.77 -45.69 78.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.74 90.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.504 ' O ' ' CD2' ' A' ' 962' ' ' LEU . 0.0 OUTLIER -65.52 -38.57 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 959' ' ' GLY . 0.1 OUTLIER -61.32 -56.3 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 964' ' ' THR . . . . . 0.459 HG23 ' CG2' ' A' ' 968' ' ' THR . 3.6 m -56.41 -34.68 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.502 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 2.1 tm? -51.28 -47.81 62.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 4.2 mt -57.7 -50.79 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -57.9 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.459 ' CG2' HG23 ' A' ' 964' ' ' THR . 62.8 p -40.6 -46.09 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 69.1 t -53.18 -46.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 973' ' ' LEU . 33.4 t0 -51.62 -28.82 15.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.486 ' O ' ' CG2' ' A' ' 975' ' ' VAL . 3.7 tt0 -75.17 -23.78 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 969' ' ' VAL . 0.0 OUTLIER -86.09 -21.26 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -48.07 -53.31 34.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 971' ' ' GLU . 48.0 t -59.63 -29.55 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.498 HD11 ' CB ' ' A' 1042 ' ' ALA . 0.9 OUTLIER -105.97 158.36 32.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.764 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.68 168.27 19.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.05 34.08 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' 1042 ' ' ALA . 0.8 OUTLIER -113.93 -55.89 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.696 ' O ' ' N ' ' A' ' 985' ' ' GLU . 1.8 p80 -48.15 -62.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -33.1 -71.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.437 ' CB ' HG11 ' A' 1038 ' ' VAL . 16.9 mt-10 -61.18 -45.94 92.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 980' ' ' THR . 45.3 mt -53.89 -39.61 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.696 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.8 OUTLIER -58.36 -48.7 79.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.8 mtm -65.03 -17.82 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' 1035 ' ' LEU . . . -84.73 -29.17 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -75.7 -45.12 38.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -44.51 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.44 ' CD2' HD11 ' A' ' 965' ' ' LEU . 14.3 tp -64.26 -63.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -46.16 -40.45 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 43.8 t -54.62 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.466 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 2.2 m-20 -45.48 -35.58 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' 1028 ' ' LEU . 0.2 OUTLIER -61.81 -67.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.75 -53.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -56.08 -48.33 76.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' 1002 ' ' MET . 2.3 tm? -61.91 -44.6 96.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.486 ' CD1' ' CG1' ' A' ' 955' ' ' VAL . 19.8 mm -58.26 -41.27 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.43 -48.04 44.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' 1004 ' ' LEU . 1.8 tptt -60.39 -61.92 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.47 ' CG ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -46.16 -31.82 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.0 OUTLIER -64.61 -37.8 88.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' 1001 ' ' LYS . 5.6 mt -80.16 -37.33 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -45.99 -39.17 8.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -51.48 -42.66 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -30.22 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.513 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.9 m-85 -87.71 39.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.412 ' C ' ' N ' ' A' 1011 ' ' THR . 7.1 p -127.4 -44.74 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -26.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' 1012 ' ' SER . 9.3 t -104.48 -163.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' 1011 ' ' THR . 7.4 p -79.24 -27.09 42.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -41.91 -28.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.438 ' N ' ' C ' ' A' 1012 ' ' SER . 0.6 OUTLIER -37.12 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -37.06 -33.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -65.71 -62.2 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.513 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 1.6 m-85 -58.91 -41.88 88.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -34.93 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1019 ' ' LYS . . . . . 0.427 ' HE2' ' CA ' ' A' 1019 ' ' LYS . 0.2 OUTLIER -78.62 -24.24 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.44 -59.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' 1022 ' ' LEU . 4.3 ppp? -55.6 -35.61 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.429 ' N ' ' SD ' ' A' 1021 ' ' MET . 2.5 tm? -58.8 -48.63 80.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 24.0 m -50.75 -44.5 58.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1024 ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' 1028 ' ' LEU . . . -66.27 -42.22 88.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -57.36 -34.32 68.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -69.43 -51.87 32.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.04 79.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.466 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 11.5 mt -59.13 -66.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.89 -40.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.2 t -74.43 -53.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -44.61 -55.13 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 1.185 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 933' ' ' VAL . . . -57.06 -34.51 68.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.3 tptt -70.14 -51.65 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.1 t30 -48.96 -34.82 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.444 ' CB ' ' HB1' ' A' ' 987' ' ' ALA . 3.4 tt -59.4 -68.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.551 HD22 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -48.15 -37.52 15.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.437 HG11 ' CB ' ' A' ' 983' ' ' GLU . 2.7 t -78.48 -25.72 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' 1036 ' ' LEU . 13.9 mt -69.85 -58.34 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.9 -53.68 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.471 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 19.1 pt20 -63.89 -29.18 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.498 ' CB ' HD11 ' A' ' 976' ' ' LEU . . . -70.46 -50.55 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.43 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 2.1 ttp-105 -44.81 -67.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 1.1 pp -41.79 -44.17 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' 1042 ' ' ALA . 0.2 OUTLIER -39.42 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.454 ' N ' ' C ' ' A' 1044 ' ' LEU . 10.5 ttp -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.1 t0 -76.63 -33.07 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.17 57.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.53 -56.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.522 ' CZ ' HD23 ' A' 1036 ' ' LEU . 3.5 m-30 -59.43 -31.18 69.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 27.0 mm-40 -73.39 -52.22 14.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -50.62 -49.02 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 49.2 t -56.59 -60.08 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.3 p -49.93 -52.58 32.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -57.98 -30.32 63.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.32 -57.77 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 0.719 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.563 ' CG1' ' CB ' ' A' 1032 ' ' ALA . 27.0 m -64.77 -36.1 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 930' ' ' THR . 9.4 mmtt -57.69 -33.95 68.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -84.37 -46.68 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 935' ' ' ALA . 5.0 t -38.12 -41.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 938' ' ' GLU . 25.7 mt -83.77 -65.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -31.09 -45.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 942' ' ' LYS . 2.1 ttp -49.6 -70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 79.6 p -38.69 -34.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.4 m -64.93 -49.38 70.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.11 24.09 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.543 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.81 -51.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.491 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -43.13 -53.36 10.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -32.69 128.41 0.36 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.468 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.92 177.24 8.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.04 -20.34 16.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.78 56.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.435 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -117.35 -2.89 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.2 t80 -92.57 -41.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -49.89 -47.49 80.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.469 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -31.93 -54.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 999' ' ' ILE . 42.7 t -66.97 -50.11 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.8 OUTLIER -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -61.45 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -45.14 -44.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.417 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.5 -41.0 79.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -51.98 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -40.3 -59.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 991' ' ' LEU . 3.6 mm? -44.04 -55.65 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.61 -55.35 6.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 11.6 m -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.2 OUTLIER -53.63 -40.84 66.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 6.0 mp -58.17 -58.95 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.22 -57.92 7.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 77.0 p -49.72 -42.74 46.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 38.8 t -60.15 -41.2 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -49.14 -42.63 40.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.463 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 17.2 mt-10 -70.99 -23.39 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.491 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.19 -27.46 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -41.34 -53.83 6.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -34.37 3.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 25.2 t -46.47 -32.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.7 OUTLIER -110.02 154.21 42.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.466 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.2 Cg_endo -75.01 -165.24 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.797 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -65.53 161.31 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 m 87.81 16.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.554 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 2.1 p -116.54 -55.96 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 12.7 p80 -46.81 -21.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 980' ' ' THR . 12.4 tpp180 -83.21 -69.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.474 ' HB3' ' CG1' ' A' 1038 ' ' VAL . 0.2 OUTLIER -61.76 -41.16 97.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 4.9 mt -56.48 -55.77 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 3.8 tm-20 -52.76 -43.36 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -27.22 64.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -79.61 -15.67 57.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -84.75 -47.8 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 993' ' ' SER . 6.1 tmtt? -56.81 -43.83 81.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.475 ' CD1' HD23 ' A' 1028 ' ' LEU . 33.8 tp -51.94 -46.16 64.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.87 -38.5 88.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 993' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 989' ' ' LYS . 29.0 t -58.82 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.477 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.4 m-20 -53.21 -22.19 6.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -65.07 -59.97 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . 0.412 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -55.25 -53.71 52.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -24.54 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -71.85 -53.3 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.469 ' HA ' ' CG1' ' A' ' 955' ' ' VAL . 1.5 mp -49.04 -48.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 3.0 t-20 -62.57 -51.35 67.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 11.7 mmtt -39.81 -36.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 952' ' ' VAL . 9.8 tmm? -76.68 -57.67 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' 1002 ' ' MET . 4.0 mtpm? -42.51 -28.31 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' 1002 ' ' MET . 9.6 mt -83.66 -57.12 3.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -40.62 -31.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.485 ' O ' ' CG1' ' A' 1009 ' ' VAL . 2.1 mt-30 -56.54 -54.17 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.56 -7.4 57.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 20.0 m-85 -108.09 27.34 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' 1006 ' ' GLN . 5.3 p -119.13 -35.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.48 ' CE ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -81.48 16.29 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.48 ' HB ' ' CE ' ' A' 1010 ' ' MET . 4.7 t -134.11 9.12 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.2 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -14.03 36.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' 1018 ' ' LYS . 1.8 tt0 -44.06 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 3.4 pp0? -36.65 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.9 tt0 -69.53 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 5.8 m-85 -69.95 -10.48 58.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.29 -52.05 25.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -31.01 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -59.64 -61.74 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' 1022 ' ' LEU . 2.1 ptm -54.04 -24.37 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.495 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -73.78 -45.55 51.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.3 m -46.66 -46.74 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.81 58.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -58.73 -31.56 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1026 ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.9 OUTLIER -75.27 -53.26 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.37 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 8.3 mt -56.21 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -38.21 -46.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1030 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -70.82 -53.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -42.87 -53.36 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.563 ' CB ' ' CG1' ' A' ' 933' ' ' VAL . . . -55.78 -39.34 71.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' 1030 ' ' VAL . 2.3 tppt? -65.67 -44.06 87.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -56.49 -33.66 66.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.44 -62.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.522 HD23 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.31 -41.05 94.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -40.06 -50.93 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 983' ' ' GLU . 51.2 t -62.81 -41.76 93.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' 1036 ' ' LEU . 18.9 mt -58.77 -45.67 91.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1040 ' ' ASP . . . . . 0.491 ' HA ' ' CD ' ' A' 1043 ' ' ARG . 0.5 OUTLIER -50.46 -40.68 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' 1045 ' ' LYS . 28.5 mt-30 -75.52 -18.51 59.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.554 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -79.96 -64.38 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' 1040 ' ' ASP . 0.0 OUTLIER -38.24 -64.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' 1045 ' ' LYS . 4.2 pp -52.24 -38.87 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -42.98 -27.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.424 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -90.9 -56.28 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.658 ' ND2' HH22 ' A' 1043 ' ' ARG . 12.3 p-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.43 -28.42 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.469 ' HA ' ' CG2' ' A' ' 968' ' ' THR . 68.4 t -56.37 -45.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.8 m-85 -66.87 -34.61 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -66.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -45.18 -41.0 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.1 t -55.74 -63.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.435 ' HA ' ' CG2' ' A' ' 933' ' ' VAL . 3.3 p -55.09 -65.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.81 -36.88 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 935' ' ' ALA . 0.0 OUTLIER -68.86 -72.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' 1029 ' ' ALA . 8.1 m -48.27 -30.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.17 -38.55 86.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.8 -49.38 12.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 935' ' ' ALA . 3.7 t -36.9 -39.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 938' ' ' GLU . 11.3 mt -84.82 -68.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -32.51 -48.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.4 ttp -47.27 -66.38 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.461 ' HB3' ' CD1' ' A' 1022 ' ' LEU . 1.5 m -38.17 -37.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -63.85 -51.81 62.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -98.72 25.13 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.597 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.09 -49.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.2 -53.19 17.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.96 -50.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.77 123.27 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.471 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.05 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.471 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -15.18 20.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.83 -26.34 21.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.539 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -102.02 -12.67 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.597 ' CE1' HD13 ' A' ' 943' ' ' ILE . 16.5 t80 -89.86 -31.14 17.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.607 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.5 t -50.65 -46.55 85.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.05 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -31.47 -64.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.958 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.583 HG21 ' CE1' ' A' ' 951' ' ' TYR . 25.1 t -56.42 -51.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -47.71 -35.06 9.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -39.5 91.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -56.83 -41.95 76.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.42 ' N ' HG12 ' A' ' 958' ' ' VAL . . . -57.92 -39.36 91.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -41.23 86.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -73.12 -41.84 63.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' ' 962' ' ' LEU . 0.0 OUTLIER -68.11 -39.59 82.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . 0.429 ' N ' HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -62.64 -51.24 68.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 21.3 m -59.1 -27.95 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.4 OUTLIER -56.56 -57.05 14.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' A' ' 962' ' ' LEU . 5.6 mp -46.62 -52.46 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.69 -55.19 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 925' ' ' VAL . 0.5 OUTLIER -52.54 -36.25 55.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 56.2 t -64.46 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 12.2 t70 -50.6 -39.72 50.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 8.4 mt-10 -69.57 -23.08 63.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -83.83 -32.35 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.3 OUTLIER -36.58 -53.13 1.81 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -40.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 66.2 t -51.99 -34.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.2 OUTLIER -108.57 159.3 31.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.415 ' HB2' ' CE1' ' A' ' 981' ' ' HIS . . . -63.23 -13.17 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 54.6 p -59.94 -18.98 49.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.537 ' CG2' ' HB3' ' A' 1042 ' ' ALA . 0.7 OUTLIER -106.08 40.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 978' ' ' ALA . 6.8 m170 -84.79 -95.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -54.07 -44.43 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -50.26 -46.38 54.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 988' ' ' GLN . 4.4 mt -68.12 -35.23 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.56 -41.29 98.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.6 mtm -69.85 -35.82 75.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.13 62.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 984' ' ' ILE . 3.7 mm-40 -83.29 -42.95 16.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -25.63 67.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -57.36 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.63 -48.73 39.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 995' ' ' LEU . 7.5 t30 -57.29 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 993' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 992' ' ' ASN . 0.3 OUTLIER -38.49 -56.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.504 ' CB ' ' CD1' ' A' 1028 ' ' LEU . 46.1 m-20 -61.87 -41.93 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 992' ' ' ASN . 0.1 OUTLIER -47.94 -50.51 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.28 64.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -56.64 -28.4 60.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -48.83 16.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.32 -53.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.08 -52.07 67.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -47.54 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.57 ' HG2' ' CE2' ' A' ' 951' ' ' TYR . 3.7 tmm? -60.32 -50.41 73.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -50.97 -28.74 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.83 -51.22 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -47.49 -37.95 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.48 ' CD ' ' CG2' ' A' ' 952' ' ' VAL . 1.2 mt-30 -51.11 -37.28 45.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -28.62 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.692 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.5 m-85 -90.23 30.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.415 ' C ' ' N ' ' A' 1011 ' ' THR . 6.5 p -117.81 -50.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -26.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' 1013 ' ' LEU . 4.3 t -106.03 170.18 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 17.1 m -56.03 -20.92 18.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -51.03 -22.31 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.0 OUTLIER -41.84 -77.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -39.78 -29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' 1013 ' ' LEU . 2.9 tt0 -67.82 -61.09 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.692 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 0.8 OUTLIER -65.62 -16.04 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 111.029 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.411 ' CE ' ' HG2' ' A' 1014 ' ' GLN . 0.0 OUTLIER -71.66 -40.53 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1019 ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' 1023 ' ' THR . 2.7 mmpt? -70.38 -31.04 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -64.49 -65.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -50.83 -25.48 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.2 OUTLIER -74.62 -53.86 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1023 ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' 1019 ' ' LYS . 5.9 m -38.32 -45.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1024 ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' 1026 ' ' HIS . . . -77.09 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.81 -25.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1026 ' ' HIS . . . . . 0.439 ' N ' ' C ' ' A' 1024 ' ' ALA . 26.4 t60 -76.06 -62.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.22 95.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.504 ' CD1' ' CB ' ' A' ' 994' ' ' ASP . 1.9 mm? -48.76 -65.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -39.5 -52.11 2.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.89 -43.87 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' 1028 ' ' LEU . 68.9 m-20 -54.84 -47.96 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1032 ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' 1035 ' ' LEU . . . -58.7 -22.47 57.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -47.11 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1034 ' ' ASN . . . . . 0.503 ' OD1' ' C ' ' A' 1034 ' ' ASN . 9.7 p30 -60.92 -22.42 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.463 ' N ' ' OD1' ' A' 1034 ' ' ASN . 0.2 OUTLIER -65.62 -62.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -68.95 -39.65 79.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.16 -40.75 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' 1039 ' ' ILE . 1.2 p -72.16 -26.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.496 ' N ' HG12 ' A' 1038 ' ' VAL . 11.4 mt -73.35 -52.4 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -52.31 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.476 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 15.3 mt-30 -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.537 ' HB3' ' CG2' ' A' ' 980' ' ' THR . . . -72.33 -57.4 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.658 HH22 ' ND2' ' A' ' 922' ' ' ASN . 11.0 ttm180 -38.77 -63.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 2.6 pp -47.51 -43.02 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' 1042 ' ' ALA . 8.0 tttp -43.8 -34.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 19.2 ttp -83.7 -49.32 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.985 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.4 OUTLIER -74.99 -45.96 38.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 23.9 t -74.1 -62.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.572 ' CD1' HD21 ' A' 1036 ' ' LEU . 3.7 m-30 -50.26 -21.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 923' ' ' ASP . 1.5 mm-40 -71.42 -67.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 927' ' ' GLU . 0.5 OUTLIER -38.68 -49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 965' ' ' LEU . 29.3 t -50.55 -56.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' GLY . 10.5 p -68.54 -63.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.3 -59.55 0.63 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -55.96 -50.38 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' 1029 ' ' ALA . 0.9 OUTLIER -55.82 -55.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 933' ' ' VAL . 0.6 OUTLIER -39.95 -38.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -77.52 -51.69 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.9 -40.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.3 mt -84.41 -68.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.37 -47.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.533 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 13.4 ttm -44.95 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.487 ' HA ' ' HB ' ' A' ' 943' ' ' ILE . 22.8 m -38.92 -39.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 941' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 938' ' ' GLU . 3.3 t -59.15 -61.81 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -91.1 28.62 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.14 -52.87 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.5 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.08 -52.91 11.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.04 -50.48 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -31.07 124.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.466 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.51 8.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -14.48 21.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.15 -21.27 22.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.4 OUTLIER -106.08 -6.34 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.565 ' CD1' HD12 ' A' ' 943' ' ' ILE . 13.6 t80 -92.89 -40.74 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.11 -47.35 81.8 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.82 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.461 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -33.11 -54.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.469 ' CG1' ' CD1' ' A' ' 999' ' ' ILE . 2.5 t -66.23 -54.24 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.93 -30.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -72.55 -52.57 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -53.08 -38.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -62.35 -41.47 99.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.35 87.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 991' ' ' LEU . 1.8 mt -54.03 -47.98 70.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.82 -54.09 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 1.2 m -61.69 -44.66 96.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 991' ' ' LEU . 3.5 tp -43.2 -47.63 6.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 6.1 mp -56.39 -58.02 9.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.53 -62.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 72.8 p -49.64 -44.54 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 37.6 t -59.29 -37.88 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -49.43 -40.13 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.447 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 4.3 tt0 -72.61 -22.53 60.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 969' ' ' VAL . 0.2 OUTLIER -86.76 -16.02 37.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.2 OUTLIER -53.84 -53.02 62.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -75.0 -35.28 3.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . . . . . . . . . 55.8 t -48.69 -29.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.493 HD11 ' CB ' ' A' 1042 ' ' ALA . 0.4 OUTLIER -109.44 164.45 14.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 976' ' ' LEU . 18.2 Cg_endo -74.99 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -83.96 45.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.94 2.21 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.562 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -116.08 -29.67 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.358 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.565 ' CD2' HD22 ' A' ' 973' ' ' LEU . 25.7 m170 -45.29 -31.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -71.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.473 ' HB3' ' CG1' ' A' 1038 ' ' VAL . 0.0 OUTLIER -50.73 -44.18 58.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.515 ' CD1' ' OG1' ' A' ' 980' ' ' THR . 13.7 mt -61.45 -36.11 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -46.76 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.6 mtm -74.92 -22.14 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -82.07 -24.86 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -46.98 13.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -37.66 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -49.48 74.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 965' ' ' LEU . 30.7 tp -56.23 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -40.92 -48.71 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.32 -72.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.406 ' CB ' HD22 ' A' 1028 ' ' LEU . 1.8 m-20 -52.47 -21.77 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.49 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -68.55 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -48.92 -54.7 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.79 -37.39 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' 1028 ' ' LEU . 10.5 tt -68.05 -45.46 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.469 ' CD1' ' CG1' ' A' ' 955' ' ' VAL . 45.6 mm -55.06 -52.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.09 -37.82 81.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -46.18 84.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -70.37 -23.18 62.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.4 OUTLIER -68.67 -40.63 80.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' 1005 ' ' ALA . 27.6 mt -72.12 -54.54 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1004 ' ' LEU . . . -38.34 -48.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CG2' ' A' ' 952' ' ' VAL . 1.8 tt0 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -29.33 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.765 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 15.6 m-85 -90.37 34.29 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' 1006 ' ' GLN . 11.5 p -124.88 -54.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -40.12 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.488 ' HG1' ' N ' ' A' 1012 ' ' SER . 0.1 OUTLIER -49.53 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.488 ' N ' ' HG1' ' A' 1011 ' ' THR . 29.6 t 176.43 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' 1013 ' ' LEU . 0.2 OUTLIER -70.59 57.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1012 ' ' SER . 43.7 tt0 -85.35 -73.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -43.21 -33.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -66.45 -58.02 6.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.765 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 3.3 m-85 -68.05 -13.25 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' 1021 ' ' MET . 0.0 OUTLIER -71.49 -46.8 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -37.93 89.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -50.85 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1021 ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' 1022 ' ' LEU . 6.0 ptm -55.34 -25.38 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -70.37 -45.68 65.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 22.7 m -47.41 -46.63 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.16 55.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.48 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1026 ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.7 OUTLIER -75.23 -54.38 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.74 81.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' 1031 ' ' ASP . 10.3 mt -53.65 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.479 ' HA ' ' CG2' ' A' ' 933' ' ' VAL . . . -40.95 -43.17 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.5 t -70.96 -43.82 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' 1028 ' ' LEU . 72.4 m-20 -54.55 -52.39 62.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.74 -26.63 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1033 ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' 1035 ' ' LEU . 29.8 mmtt -73.46 -63.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -40.85 -29.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1035 ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 984' ' ' ILE . 21.2 tp -62.97 -70.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.92 -41.38 91.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -42.62 -41.84 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 983' ' ' GLU . 74.7 t -71.77 -39.25 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' 1036 ' ' LEU . 7.6 mt -53.77 -59.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.65 -44.62 27.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.487 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.9 OUTLIER -69.59 -25.83 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -79.28 -47.86 15.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -45.78 -54.35 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 3.0 pp -55.75 -44.91 78.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.418 ' N ' HD11 ' A' 1044 ' ' LEU . 0.0 OUTLIER -42.87 -32.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 10.5 ttp -85.58 -48.24 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.97 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 2.6 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.8 t70 -76.39 -35.25 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -44.35 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.66 -49.52 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.712 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 7.2 m-30 -65.46 -29.55 70.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -69.88 -52.21 26.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -55.73 -50.54 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.433 ' CG2' HD21 ' A' ' 965' ' ' LEU . 84.7 t -50.79 -55.72 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.9 p -60.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -36.25 -53.57 1.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.1 OUTLIER -58.69 -52.08 67.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 936' ' ' VAL . 1.2 t -57.03 -56.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 933' ' ' VAL . 0.2 OUTLIER -40.13 -37.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -75.59 -50.09 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.57 -42.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 938' ' ' GLU . 4.1 mt -84.63 -67.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -34.73 -53.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.488 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -46.17 -61.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.466 ' HA ' ' HB ' ' A' ' 943' ' ' ILE . 57.8 m -41.85 -37.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 6.4 t -64.78 -55.35 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.12 24.07 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.36 -54.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.4 tt0 -45.94 -49.92 37.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -37.07 135.12 0.66 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.472 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 177.57 8.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.55 -28.62 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.558 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -92.85 -8.2 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.609 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -83.42 -49.08 9.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.34 -47.5 57.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.513 ' CE ' HG12 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -28.92 -60.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.408 ' HB ' ' SD ' ' A' 1002 ' ' MET . 6.8 t -60.93 -52.12 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -44.37 -32.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -51.37 59.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -51.29 -36.37 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.402 ' N ' HG11 ' A' ' 958' ' ' VAL . . . -65.0 -43.15 96.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -38.76 88.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.88 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 966' ' ' LEU . 0.0 OUTLIER -63.18 -34.69 78.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -57.53 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 964' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 968' ' ' THR . 3.4 m -53.61 -29.37 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.0 OUTLIER -58.06 -53.24 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 6.9 mp -48.81 -49.84 37.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.74 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 964' ' ' THR . 69.9 p -51.79 -37.53 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 82.8 t -62.33 -43.35 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.1 t70 -49.12 -38.35 24.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 6.4 mt-10 -76.82 -24.28 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.502 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.08 -27.69 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.51 -52.2 10.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.05 -34.02 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 972' ' ' SER . 21.6 t -46.64 -32.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.7 OUTLIER -109.81 154.84 42.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.444 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.2 Cg_endo -75.0 -175.73 2.52 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -54.63 176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.88 29.79 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.564 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 1.0 OUTLIER -117.31 -59.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 985' ' ' GLU . 2.7 p80 -44.34 -52.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.53 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.438 ' CB ' HG13 ' A' 1038 ' ' VAL . 13.0 mt-10 -54.76 -45.07 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 980' ' ' THR . 8.6 mt -56.64 -30.66 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -65.94 -44.39 85.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.0 mtm -66.86 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.39 -33.22 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.11 -46.7 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -55.32 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -41.35 -56.79 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.552 ' CB ' ' CD1' ' A' 1028 ' ' LEU . 43.3 m-20 -47.23 -47.56 24.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 962' ' ' LEU . 0.3 OUTLIER -48.8 -62.39 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -37.57 -52.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.2 OUTLIER -59.02 -40.81 86.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' 1002 ' ' MET . 6.0 mm -64.89 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -42.43 -36.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -54.33 47.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' ' 999' ' ' ILE . 0.8 OUTLIER -57.42 -20.06 27.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.6 mtpt -77.38 -29.41 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 23.5 mt -89.48 -50.73 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -47.21 -34.33 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -35.51 70.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.8 -27.8 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.733 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 9.5 m-85 -87.83 26.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.445 HG21 ' CG ' ' A' 1014 ' ' GLN . 4.1 p -113.48 -48.83 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -40.93 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.2 OUTLIER -50.51 -62.08 1.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.6 OUTLIER 161.02 -26.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' 1013 ' ' LEU . 0.3 OUTLIER -78.37 53.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.445 ' CG ' HG21 ' A' 1009 ' ' VAL . 18.7 tt0 -84.46 -75.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -25.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.47 -58.2 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.733 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 4.2 m-85 -65.14 -25.4 67.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 11.5 mptt -67.54 -34.02 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -32.77 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -56.38 -68.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 5.2 ppp? -52.36 -31.19 32.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -61.21 -58.81 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.0 m -39.92 -48.14 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.58 76.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.59 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -59.86 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.552 ' CD1' ' CB ' ' A' ' 994' ' ' ASP . 0.4 OUTLIER -59.16 -61.38 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.69 -43.78 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -73.06 -48.49 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 18.7 t0 -43.47 -48.72 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.83 85.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.85 -38.13 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.62 -36.71 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.06 -61.84 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.712 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.32 -39.88 94.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -45.85 -44.08 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.438 HG13 ' CB ' ' A' ' 983' ' ' GLU . 46.9 t -68.3 -31.49 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.491 ' N ' ' O ' ' A' 1036 ' ' LEU . 13.1 mt -70.91 -40.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -45.89 70.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' 1038 ' ' VAL . 3.1 pt20 -71.35 -22.82 61.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.564 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -75.18 -47.19 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' 1045 ' ' LYS . 1.5 pp -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.425 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.99 -36.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 5.1 ttp -80.91 -51.88 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 35.2 t30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.9 OUTLIER -75.67 -21.16 57.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -61.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 968' ' ' THR . 43.8 t -55.06 -37.47 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.602 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 3.3 m-85 -74.87 -21.94 58.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -81.6 -61.08 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -47.42 -36.24 9.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 925' ' ' VAL . 54.8 t -66.43 -63.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -63.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -47.69 -28.14 5.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.47 -59.16 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.793 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . 0.439 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 31.9 m -65.45 -39.09 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -60.08 -30.11 69.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -90.35 -51.43 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 935' ' ' ALA . 1.2 t -38.23 -37.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 938' ' ' GLU . 19.2 mt -84.33 -64.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.528 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -28.57 -48.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.482 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.1 ttp -42.39 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.518 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.7 m -37.87 -37.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -51.55 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.11 28.88 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.542 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.77 -50.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.39 -52.9 12.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.81 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.435 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.97 176.33 10.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.02 -17.54 19.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.37 -16.79 36.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.598 ' CE1' ' HG3' ' A' 1002 ' ' MET . 1.3 t80 -93.17 -40.67 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -51.44 -47.42 89.05 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 943' ' ' ILE . 0.4 OUTLIER -32.77 -53.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 999' ' ' ILE . 93.9 t -68.04 -49.95 63.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 953' ' ' PRO . 1.5 mmmp? -43.99 -36.23 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 960' ' ' LEU . 8.4 tt0 -65.47 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 48.7 t -43.09 -46.99 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -54.68 -39.89 68.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.3 OUTLIER -62.45 -35.69 80.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.25 -46.02 79.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 991' ' ' LEU . 3.4 mm? -54.64 -54.9 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.24 -55.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 27.6 m -64.61 -45.73 85.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.426 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.1 OUTLIER -50.38 -48.99 55.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 3.6 mp -48.12 -59.73 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -54.06 -50.24 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 925' ' ' VAL . 0.4 OUTLIER -54.85 -36.88 65.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 972' ' ' SER . 78.1 t -64.02 -43.18 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.4 t0 -49.96 -35.38 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.502 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 8.6 tt0 -77.5 -23.77 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.499 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.63 -29.49 24.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.17 -51.5 7.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -74.98 -35.06 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 972' ' ' SER . 16.3 t -47.09 -27.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.5 mm? -109.3 146.16 33.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.1 Cg_endo -75.05 159.45 41.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -57.72 118.56 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 p 158.82 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.541 ' O ' ' CG1' ' A' ' 984' ' ' ILE . 10.0 t -116.88 34.88 4.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 982' ' ' ARG . 30.7 m170 -80.76 -78.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 985' ' ' GLU . 6.3 tpt180 -38.24 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' 1038 ' ' VAL . 0.1 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.541 ' CG1' ' O ' ' A' ' 980' ' ' THR . 25.9 mt -60.71 -39.47 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -64.55 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.9 mtp -78.63 -27.87 45.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -76.54 -17.84 59.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -82.16 -45.91 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -36.96 84.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -40.26 96.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 962' ' ' LEU . 16.0 tp -58.1 -55.16 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.04 -58.14 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 7.9 t -43.67 -59.38 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.531 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 35.3 m-20 -56.89 -47.19 81.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.2 OUTLIER -49.91 -57.26 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -43.2 -51.25 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -58.05 -34.48 70.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.2 OUTLIER -74.65 -48.07 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.478 HD11 ' CG1' ' A' ' 955' ' ' VAL . 51.2 mm -53.88 -46.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 1003 ' ' LYS . 22.4 t30 -63.09 -49.57 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -40.99 -35.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.598 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 1.7 ttp -80.05 -40.72 27.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1003 ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' 1000 ' ' ASN . 2.7 mtpt -52.55 -50.24 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1004 ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' 1008 ' ' TYR . 0.5 OUTLIER -66.33 -52.53 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -54.64 -18.52 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 952' ' ' VAL . 3.3 tp-100 -76.08 -30.35 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.86 -31.08 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.75 ' CE2' ' CZ ' ' A' 1017 ' ' TYR . 2.3 m-85 -71.67 -28.22 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' 1011 ' ' THR . 2.0 p -40.65 -55.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' 1010 ' ' MET . 3.4 ttp -67.47 57.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' 1012 ' ' SER . 31.5 m -160.02 -36.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.9 t 98.96 -5.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.54 ' HG ' ' CG2' ' A' 1011 ' ' THR . 0.3 OUTLIER -83.11 -9.31 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -46.59 -53.07 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -35.64 -42.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -67.09 -59.02 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.75 ' CZ ' ' CE2' ' A' 1008 ' ' TYR . 24.5 m-85 -59.67 -22.26 61.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.8 OUTLIER -69.39 -41.02 77.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -63.11 -33.73 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -62.95 -44.86 94.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -42.32 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' 1023 ' ' THR . 3.3 tm? -61.19 -56.55 19.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1023 ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' 1022 ' ' LEU . 1.8 m -37.62 -49.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.22 64.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.29 -25.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -71.51 -62.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.34 75.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.531 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 1.0 OUTLIER -61.07 -64.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1029 ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -40.11 -36.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.3 t -78.8 -46.77 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1031 ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' 1028 ' ' LEU . 7.9 m-20 -43.79 -51.78 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.61 98.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -48.33 64.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1034 ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' 1031 ' ' ASP . 3.8 m-20 -50.69 -46.0 58.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.602 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.09 -43.99 63.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.2 -44.52 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1038 ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 983' ' ' GLU . 83.9 t -67.23 -42.67 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.481 ' CG1' ' CD1' ' A' ' 984' ' ' ILE . 6.6 mt -53.74 -53.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -42.38 42.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.498 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 3.3 mt-30 -61.41 -22.02 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.493 ' HB3' ' CG2' ' A' ' 980' ' ' THR . . . -79.99 -55.46 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -46.48 -59.87 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -50.36 -46.84 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' 1044 ' ' LEU . 0.0 OUTLIER -51.21 -26.45 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.475 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 0.8 OUTLIER -95.84 -37.99 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.976 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 922' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 922' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -74.21 -40.04 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -43.89 93.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . 0.476 ' HA ' ' CG2' ' A' ' 968' ' ' THR . 52.2 t -69.28 -45.11 79.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 926' ' ' TYR . . . . . 0.518 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 1.8 m-85 -64.32 -23.45 67.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 931' ' ' GLY . 3.2 mm-40 -69.9 -68.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -47.2 -23.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 927' ' ' GLU . 13.6 t -75.45 -66.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 930' ' ' THR . . . . . 0.413 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 2.8 t -62.91 -48.64 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 931' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -50.43 -41.04 40.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 932' ' ' LEU . . . . . 0.486 ' CD1' ' HG ' ' A' ' 962' ' ' LEU . 0.0 OUTLIER -58.75 -65.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 0.733 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 933' ' ' VAL . . . . . . . . . . . . . 19.9 m -52.97 -39.23 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 934' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -49.78 -32.26 13.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -87.35 -44.25 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 936' ' ' VAL . . . . . . . . . . . . . 42.3 t -41.63 -47.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 937' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 938' ' ' GLU . 18.4 mt -73.01 -64.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.18 -45.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 939' ' ' MET . . . . . 0.48 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -45.21 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 940' ' ' SER . . . . . 0.604 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.5 p -40.88 -34.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 941' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 1.1 t -57.32 -53.46 57.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -108.62 32.57 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 943' ' ' ILE . . . . . 0.604 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.2 OUTLIER -94.24 -51.98 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -42.28 -53.17 9.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.15 126.87 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 947' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 948' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -13.5 21.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.18 -23.8 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 950' ' ' GLU . . . . . 0.427 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -104.35 -7.21 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 951' ' ' TYR . . . . . 0.602 ' CE1' HD12 ' A' ' 943' ' ' ILE . 34.0 t80 -93.18 -38.2 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 952' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -51.14 -48.17 85.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 953' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -35.06 -68.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 955' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' 1002 ' ' MET . 63.3 t -53.05 -54.46 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 956' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 955' ' ' VAL . 2.9 mtpt -39.52 -33.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 957' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.7 OUTLIER -67.33 -58.03 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 958' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -44.56 -46.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . 0.45 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.4 -39.8 74.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.26 99.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.96 90.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 962' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' A' ' 932' ' ' LEU . 4.0 mt -58.69 -52.8 64.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -55.74 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 12.4 m -57.66 -44.17 85.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 1.2 tt -48.48 -51.59 26.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 965' ' ' LEU . 50.6 mt -46.14 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.34 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 968' ' ' THR . . . . . 0.476 ' CG2' ' HA ' ' A' ' 925' ' ' VAL . 90.6 m -50.73 -47.68 59.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 23.1 t -58.77 -37.76 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 970' ' ' ASP . . . . . 0.414 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.2 t70 -48.9 -42.82 38.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 971' ' ' GLU . . . . . 0.485 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 53.1 mt-10 -69.43 -23.06 63.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 972' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 969' ' ' VAL . 0.5 OUTLIER -84.29 -30.0 25.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 973' ' ' LEU . . . . . 0.493 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -38.32 -52.49 3.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 974' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.01 -36.16 2.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 975' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 47.4 t -48.16 -32.18 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 976' ' ' LEU . 1.5 mm? -110.69 160.03 30.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 976' ' ' LEU . 18.4 Cg_endo -74.98 149.75 37.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 978' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -49.67 -23.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 87.8 p -43.13 -29.81 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.941 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 980' ' ' THR . . . . . 0.613 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 5.2 t -116.57 45.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 981' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -80.83 -83.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.563 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 982' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 985' ' ' GLU . 25.5 tpp180 -40.01 -63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -39.12 -51.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' 1039 ' ' ILE . 9.1 mt -63.25 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 985' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -63.0 -33.36 75.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 986' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 982' ' ' ARG . 11.7 mtp -81.48 -23.93 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.8 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.35 -50.63 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -43.42 86.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -53.36 59.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 991' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 995' ' ' LEU . 14.8 tp -48.83 -54.3 15.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 992' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t30 -55.5 -65.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.78 -56.24 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 994' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.6 OUTLIER -62.04 -34.92 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 995' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -58.14 -60.23 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.6 26.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -33.53 60.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -48.52 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 999' ' ' ILE . . . . . 0.467 ' CG1' HD13 ' A' ' 995' ' ' LEU . 17.1 mm -55.79 -41.95 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1000 ' ' ASN . . . . . 0.409 ' C ' ' N ' ' A' 1002 ' ' MET . 4.5 t-20 -65.74 -56.31 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.2 OUTLIER -39.86 -31.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1002 ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -80.11 -52.22 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -49.41 -23.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.3 mt -88.46 -42.16 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1005 ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' 1009 ' ' VAL . . . -50.81 -22.22 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1006 ' ' GLN . . . . . 0.42 ' O ' ' CG1' ' A' 1009 ' ' VAL . 6.1 tp60 -73.23 -36.99 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.88 -38.29 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1008 ' ' TYR . . . . . 0.754 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 70.2 m-85 -85.78 45.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1009 ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' 1010 ' ' MET . 3.4 p -135.31 -45.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1010 ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -28.32 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1011 ' ' THR . . . . . 0.487 ' HG1' ' N ' ' A' 1012 ' ' SER . 0.0 OUTLIER -45.87 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1012 ' ' SER . . . . . 0.487 ' N ' ' HG1' ' A' 1011 ' ' THR . 3.0 p 168.84 32.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1013 ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' 1016 ' ' GLU . 5.2 tp -84.39 -12.23 54.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.1 OUTLIER -36.73 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1015 ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' 1014 ' ' GLN . 13.3 pt20 -33.56 -36.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' 1014 ' ' GLN . 5.3 tt0 -66.93 -67.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1017 ' ' TYR . . . . . 0.754 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 2.3 m-85 -62.77 -29.72 70.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.443 ' NZ ' HG22 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -50.6 -51.02 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.39 97.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -51.97 -51.77 54.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -46.2 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' 1026 ' ' HIS . 0.1 OUTLIER -54.6 -40.93 69.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.7 m -51.96 -44.64 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.73 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.75 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1026 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 1022 ' ' LEU . 33.8 t60 -74.88 -54.98 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.46 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1028 ' ' LEU . . . . . 0.513 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -59.62 -62.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1029 ' ' ALA . . . . . . . . . . . . . . . -43.07 -44.95 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.9 t -69.3 -46.29 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -45.99 -56.45 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -53.93 -36.91 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.55 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 28.1 t30 -42.55 -39.29 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.98 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1036 ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 10.0 tt -61.27 -38.38 86.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.81 -47.66 8.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 12.5 t -64.45 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1039 ' ' ILE . . . . . 0.464 HG13 ' CD1' ' A' ' 984' ' ' ILE . 2.1 mt -59.8 -54.09 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.04 -44.86 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1041 ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 4.9 mt-30 -64.46 -20.4 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1042 ' ' ALA . . . . . 0.613 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -83.89 -57.69 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1043 ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.4 ttp180 -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 3.6 pp -68.09 -49.92 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1045 ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' 1042 ' ' ALA . 15.8 mttm -39.89 -31.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 15.3 ttp -83.88 -52.83 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 15.8 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.511 0.196 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -92.76 -175.53 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.26 89.72 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.76 46.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -91.75 42.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.88 -73.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -32.46 19.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 0.9 OUTLIER -62.36 -15.52 48.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 16.1 t70 -75.49 -43.0 51.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -60.37 -41.75 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 968' ' ' THR . 12.2 t -72.24 -51.22 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.569 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 8.5 m-30 -65.39 -15.36 62.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 2.7 mm-40 -77.26 -68.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.01 -54.3 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 73.9 t -46.59 -62.27 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 934' ' ' LYS . 7.6 p -60.75 -65.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.25 -59.02 0.65 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -56.79 -47.19 80.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' 1032 ' ' ALA . 1.4 t -59.89 -62.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.9 mttt -39.98 -31.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 939' ' ' MET . . . -82.47 -49.56 9.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 932' ' ' LEU . 2.9 t -37.98 -38.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 940' ' ' SER . 4.6 mp -84.14 -65.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -52.97 4.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 3.4 ppp? -50.41 -31.8 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 937' ' ' ILE . 13.1 m -66.29 -39.07 89.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 45.9 t -67.26 -50.67 59.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -83.13 7.45 15.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.578 HD12 ' CE1' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -76.99 -61.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.489 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -35.72 -53.6 1.39 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.4 Cg_endo -74.92 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -30.46 122.23 0.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 178.34 7.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.06 -12.23 21.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -92.43 -28.06 17.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.449 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -100.58 -11.77 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 943' ' ' ILE . 9.1 t80 -89.8 -41.67 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -43.52 -49.76 17.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.0 Cg_endo -75.08 -46.31 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.48 ' HE3' ' CB ' ' A' ' 946' ' ' ALA . 5.9 ttp -34.34 -61.66 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.38 -42.73 96.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -51.56 -36.47 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -53.99 40.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 75.7 t -50.68 -40.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.434 ' HA2' ' CD1' ' A' ' 995' ' ' LEU . . . -70.75 -37.78 66.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 960' ' ' LEU . 0.1 OUTLIER -63.82 -41.84 97.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.39 78.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' A' ' 966' ' ' LEU . 0.6 OUTLIER -52.95 -54.02 41.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -59.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -48.97 70.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 9.8 mp -48.99 -56.07 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.6 79.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 925' ' ' VAL . 23.0 m -56.98 -41.55 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 972' ' ' SER . 21.9 t -57.51 -47.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -48.13 -41.45 26.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.492 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 15.7 tt0 -74.54 -24.03 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.06 -30.07 26.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.498 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -39.46 -52.9 4.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.91 -34.55 3.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 25.6 t -47.59 -27.1 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.6 mm? -108.72 157.65 36.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.44 35.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -56.03 118.44 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.4 t 156.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.555 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 6.6 t -116.05 37.62 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.472 ' NE2' ' N ' ' A' ' 979' ' ' SER . 0.0 OUTLIER -82.36 -77.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -38.99 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -40.03 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 980' ' ' THR . 6.7 mt -54.04 -51.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.69 -45.84 81.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 26.8 mtp -66.17 -27.77 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' 1035 ' ' LEU . . . -71.44 -41.19 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -53.05 -51.42 61.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.94 70.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -54.91 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.17 -57.36 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -49.5 17.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -70.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.8 OUTLIER -48.38 -42.34 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.5 OUTLIER -54.7 -62.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.75 -51.49 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' 1028 ' ' LEU . 6.2 tt -75.45 -42.84 52.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 6.0 mm -58.92 -48.55 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -57.73 -51.6 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -43.02 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 4.2 ttp -66.64 -59.92 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.14 -31.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1007 ' ' GLN . 10.7 mt -83.07 -57.62 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -44.66 -38.76 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.454 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 0.8 OUTLIER -53.88 -36.51 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1007 ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' 1004 ' ' LEU . 13.3 tt0 -98.66 -29.55 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' 1004 ' ' LEU . 33.9 m-85 -88.89 32.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' 1014 ' ' GLN . 6.7 p -120.94 -47.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.481 ' CE ' ' CG2' ' A' 1011 ' ' THR . 0.0 OUTLIER -61.52 -18.24 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.481 ' CG2' ' CE ' ' A' 1010 ' ' MET . 0.0 OUTLIER -70.56 -78.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.98 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.943 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' 1013 ' ' LEU . 3.7 pp -80.03 52.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.473 ' HG3' ' CG2' ' A' 1009 ' ' VAL . 1.1 tt0 -79.36 -67.51 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -29.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -63.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1017 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -64.34 -38.55 91.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.14 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -49.21 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -43.69 -50.96 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -48.03 61.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -50.04 -47.85 53.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.9 m -45.36 -55.04 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.03 86.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -49.28 -34.35 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.52 -58.19 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.29 77.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 6.8 mt -55.22 -66.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.54 -43.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.4 t -68.3 -51.36 48.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -46.54 -51.85 14.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 933' ' ' VAL . . . -60.32 -34.7 74.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -68.15 -57.37 6.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.84 -23.63 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 987' ' ' ALA . 0.4 OUTLIER -64.95 -67.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.9 -41.26 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1037 ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' 1036 ' ' LEU . 51.8 t0 -37.83 -52.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' 1039 ' ' ILE . 0.3 OUTLIER -62.09 -48.83 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.481 ' N ' ' CG1' ' A' 1038 ' ' VAL . 6.0 mt -54.21 -45.38 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -36.66 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.499 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 1.3 mt-30 -70.17 -23.61 63.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.555 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -82.69 -56.96 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.3 ttt-85 -38.91 -47.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.5 pp -63.19 -47.67 81.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' 1042 ' ' ALA . 28.5 tttp -41.18 -28.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 29.1 ttp -88.1 -49.28 7.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.2 mt -44.98 -71.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.39 75.66 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -169.71 -65.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.5 t -175.53 90.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 119.39 76.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -80.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 6.0 m80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.562 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.501 0.191 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -55.31 110.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 917' ' ' ASN . 0.9 OUTLIER -85.92 137.95 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.78 73.05 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -99.78 -64.6 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -87.45 78.93 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.38 59.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.498 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.8 OUTLIER -75.51 -31.48 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.02 -49.14 66.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 968' ' ' THR . 15.4 t -62.71 -40.47 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.516 ' CG ' HD22 ' A' 1036 ' ' LEU . 3.3 m-85 -73.93 -25.26 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 4.2 mm-40 -67.99 -67.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -44.33 -56.05 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 53.7 t -40.47 -59.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.5 p -67.0 -64.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.46 -45.17 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -73.16 -51.41 17.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.413 ' O ' ' CD1' ' A' ' 937' ' ' ILE . 0.9 OUTLIER -52.5 -50.91 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -43.71 65.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.16 -49.32 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 935' ' ' ALA . 3.6 t -38.82 -42.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 938' ' ' GLU . 4.4 mp -84.06 -64.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -38.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 942' ' ' LYS . 5.8 ttm -52.41 -68.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.507 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.2 m -41.68 -30.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.7 t -67.33 -45.63 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.67 22.45 15.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.581 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.18 -52.57 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.518 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.7 OUTLIER -39.88 -54.19 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -75.0 -53.8 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -32.47 128.33 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.463 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 177.25 8.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.5 Cg_endo -75.0 -19.2 18.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -16.46 40.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.456 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -110.83 -3.78 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.581 ' CE1' HD13 ' A' ' 943' ' ' ILE . 3.1 t80 -93.15 -35.99 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.589 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -53.17 -47.22 96.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.04 -50.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -34.08 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.476 ' CG1' HD12 ' A' ' 999' ' ' ILE . 13.7 t -53.74 -53.76 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 955' ' ' VAL . 1.7 mmtt -38.89 -32.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.91 -58.33 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 959' ' ' GLY . 0.5 OUTLIER -47.08 -42.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.409 ' N ' HG11 ' A' ' 958' ' ' VAL . . . -57.68 -43.22 94.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -45.41 93.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.37 8.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.459 ' CD2' ' HG ' ' A' ' 991' ' ' LEU . 2.1 mt -49.77 -50.24 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -59.69 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 5.9 m -61.65 -39.02 89.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.409 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 4.4 tt -60.84 -36.33 78.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -54.26 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.87 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.472 HG22 ' CG2' ' A' ' 925' ' ' VAL . 31.5 m -52.65 -44.37 66.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 973' ' ' LEU . 6.3 t -54.9 -45.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -48.25 -44.21 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.496 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 7.5 mt-10 -72.9 -22.09 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.501 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.3 OUTLIER -85.51 -27.64 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.69 -51.47 9.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.0 -36.89 2.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.488 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 7.3 t -47.02 -32.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.9 OUTLIER -110.14 144.65 30.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -58.96 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.2 OUTLIER 85.51 -44.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.577 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 11.7 t -111.65 40.88 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -83.97 -84.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 985' ' ' GLU . 0.0 OUTLIER -55.98 -54.38 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -43.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' 1039 ' ' ILE . 0.3 OUTLIER -65.78 -45.05 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.6 OUTLIER -60.29 -36.67 78.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -36.16 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -65.7 -21.23 66.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.41 -45.76 18.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -39.19 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -47.12 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.459 ' HG ' ' CD2' ' A' ' 962' ' ' LEU . 39.2 tp -54.42 -53.19 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t-20 -56.78 -61.76 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.87 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.531 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.93 -30.12 70.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 992' ' ' ASN . 0.4 OUTLIER -67.71 -58.13 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -45.59 -47.57 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -54.79 -36.32 64.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 995' ' ' LEU . 7.0 tt -71.69 -46.64 58.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.476 HD12 ' CG1' ' A' ' 955' ' ' VAL . 3.5 mm -51.11 -48.79 30.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 41.7 t30 -57.01 -54.99 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -42.54 -36.51 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -79.29 -45.53 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -28.11 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.48 -50.49 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -50.55 -27.64 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -62.35 -34.09 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.9 -26.22 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.524 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 21.6 m-85 -88.67 23.87 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1009 ' ' VAL . . . . . . . . . . . . . 3.1 p -109.88 -45.72 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.505 ' CE ' ' OG1' ' A' 1011 ' ' THR . 0.0 OUTLIER -68.66 -13.22 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.505 ' OG1' ' CE ' ' A' 1010 ' ' MET . 1.2 m -73.05 -83.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.32 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 1.9 pp -79.41 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' 1015 ' ' GLN . 0.8 OUTLIER -77.72 -60.18 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.401 ' N ' ' OE1' ' A' 1014 ' ' GLN . 2.0 pt20 -47.9 -24.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -70.42 -61.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.524 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 3.0 m-85 -63.23 -14.44 49.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.405 ' HE2' ' CA ' ' A' 1018 ' ' LYS . 0.0 OUTLIER -75.96 -45.18 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -13.99 61.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -73.3 -66.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' 1022 ' ' LEU . 5.4 ppp? -52.55 -33.43 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' 1022 ' ' LEU . 1.6 tm? -58.37 -56.37 22.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -43.33 -48.47 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.53 -27.37 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -56.96 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.63 -35.05 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.531 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -61.13 -63.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1029 ' ' ALA . . . . . . . . . . . . . . . -41.58 -40.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.7 t -73.25 -49.88 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' 1030 ' ' VAL . 5.4 t0 -40.23 -54.34 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.35 80.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 7.1 tptt -55.78 -40.34 72.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -56.94 -45.54 82.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.504 ' O ' ' CG1' ' A' 1038 ' ' VAL . 5.8 tt -46.22 -54.71 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.516 HD22 ' CG ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -70.82 -42.0 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -41.02 -59.56 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' 1035 ' ' LEU . 5.9 p -55.31 -40.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 984' ' ' ILE . 10.7 mt -61.46 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -40.17 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.513 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 33.1 mt-30 -70.1 -22.74 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.577 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -84.74 -41.22 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -44.83 65.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -66.05 -46.95 75.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.449 ' N ' HD12 ' A' 1044 ' ' LEU . 14.2 mttm -40.92 -29.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' 1044 ' ' LEU . 13.1 ttp -87.86 -55.8 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mt -48.41 -42.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -51.48 62.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 85.33 5.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.42 -77.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -102.3 132.98 20.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.591 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.456 0.169 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.18 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -88.02 70.58 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.81 62.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . 0.479 ' CA ' ' OD1' ' A' ' 922' ' ' ASN . 6.2 p-10 -110.09 43.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -88.18 -53.39 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 3.3 m -77.5 -34.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 25.8 p-10 -71.31 -8.2 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.02 -45.59 26.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -59.37 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 929' ' ' VAL . 91.6 t -44.06 -52.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.596 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 3.3 m-85 -61.65 -37.91 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.68 -54.83 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -50.05 -38.34 37.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 925' ' ' VAL . 83.9 t -66.32 -62.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.1 p -44.97 -63.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.41 -28.13 13.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 933' ' ' VAL . 0.2 OUTLIER -73.6 -61.93 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' 1032 ' ' ALA . 15.8 m -60.23 -35.45 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.7 mmpt? -56.02 -40.4 73.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.22 -43.72 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 935' ' ' ALA . 6.2 t -39.03 -42.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 938' ' ' GLU . 60.2 mt -84.79 -66.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -32.47 -41.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 36.2 ttm -49.79 -71.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.523 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 48.2 m -40.96 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -48.92 69.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.6 OUTLIER -103.61 23.75 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.554 ' CD1' ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.16 -52.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.509 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 2.0 tt0 -42.97 -52.32 11.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.97 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.79 133.26 0.43 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.95 177.39 8.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.04 -16.07 20.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 -25.72 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -98.14 -6.01 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.568 ' CD1' ' SD ' ' A' 1002 ' ' MET . 1.0 OUTLIER -89.94 -45.78 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -48.75 -48.15 70.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.788 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.473 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 4.8 ttp -33.95 -52.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.609 ' CG1' ' CD1' ' A' ' 999' ' ' ILE . 2.3 t -62.73 -55.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.24 -34.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -58.93 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -40.27 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -62.08 -39.68 97.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -39.89 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.98 73.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 995' ' ' LEU . 2.1 mt -55.62 -50.53 69.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -48.56 -55.26 11.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 15.0 m -62.08 -38.5 89.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.42 ' CD2' HG21 ' A' ' 929' ' ' VAL . 2.5 tm? -53.95 -41.46 67.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 8.6 mp -57.81 -58.1 9.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.23 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 26.1 p -49.46 -45.86 47.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.66 -40.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.66 -33.85 35.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.537 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 12.7 mt-10 -81.7 -23.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.5 OUTLIER -85.1 -33.86 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.519 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.8 OUTLIER -39.89 -50.93 5.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.537 ' HD2' ' C ' ' A' ' 971' ' ' GLU . 18.3 Cg_endo -74.98 -35.14 3.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.425 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 26.3 t -48.49 -26.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.8 mm? -107.54 158.05 34.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.1 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 977' ' ' PRO . . . -47.17 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 15.4 m 68.84 26.85 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.549 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 1.0 OUTLIER -116.45 -63.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 1.8 p80 -43.49 -27.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 980' ' ' THR . 1.4 ttp180 -77.69 -68.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.464 ' HB3' ' CG1' ' A' 1038 ' ' VAL . 15.7 mt-10 -56.75 -44.26 81.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 980' ' ' THR . 1.6 mp -58.02 -32.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -68.56 -39.23 81.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.21 62.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.78 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -78.66 -26.83 45.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -57.06 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 962' ' ' LEU . 22.3 tp -51.1 -63.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -55.87 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.24 -70.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -53.66 -33.97 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.55 -59.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -58.31 -49.44 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.16 -29.32 30.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' 1021 ' ' MET . 0.8 OUTLIER -75.6 -53.1 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.609 ' CD1' ' CG1' ' A' ' 955' ' ' VAL . 34.1 mm -44.48 -41.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' 1002 ' ' MET . 52.8 t30 -59.45 -61.59 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 1.4 mptt -47.5 -23.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.568 ' SD ' ' CD1' ' A' ' 951' ' ' TYR . 0.5 OUTLIER -87.12 -53.04 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.2 mtpt -52.38 -29.72 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.499 ' HB3' ' CD2' ' A' 1008 ' ' TYR . 1.5 mt -78.03 -51.06 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' 1009 ' ' VAL . . . -39.28 -48.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.473 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 5.3 tm0? -39.18 -46.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.47 -34.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 54.9 m-85 -87.65 39.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' 1005 ' ' ALA . 4.5 t -129.27 -48.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -36.36 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' 1009 ' ' VAL . 9.9 t -104.4 161.76 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -44.12 -32.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -40.25 -29.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' 1012 ' ' SER . 1.4 tt0 -35.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 20.3 pt20 -37.09 -40.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -54.7 -56.4 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.662 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 6.1 m-85 -67.5 -30.42 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -53.86 -39.13 65.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1019 ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -71.69 -44.28 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -52.16 -59.14 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.477 ' HG2' ' CD2' ' A' ' 998' ' ' LEU . 0.0 OUTLIER -49.65 -41.8 43.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.3 tm? -57.74 -43.26 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -49.54 -49.62 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.42 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -51.43 -31.53 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.21 -56.89 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.73 76.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' 1029 ' ' ALA . 9.3 mt -55.06 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -38.6 -42.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -69.03 -53.84 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -41.52 -63.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -52.86 -32.94 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.0 OUTLIER -68.9 -57.34 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.61 -30.92 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.19 -68.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.596 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -63.41 -40.04 96.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1037 ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' 1036 ' ' LEU . 28.1 t0 -39.01 -53.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 983' ' ' GLU . 76.8 t -60.3 -43.47 93.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' 1036 ' ' LEU . 11.3 mt -56.38 -46.88 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -49.69 -38.07 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.483 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 7.7 mt-30 -77.39 -23.3 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.549 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -80.65 -46.17 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -51.94 -49.22 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.4 pp -60.14 -42.9 95.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' 1044 ' ' LEU . 1.1 tptp -40.06 -31.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.1 OUTLIER -82.81 -50.84 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.3 mt -49.05 -43.76 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.38 58.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -96.8 -23.12 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 172.31 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.038 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.41 125.92 60.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -46.12 111.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -75.67 76.88 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 3.0 mp -124.2 109.11 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.07 -174.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -82.47 52.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.2 m -85.48 -86.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.462 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 11.8 p-10 -70.67 -8.73 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -76.04 -45.96 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -63.78 -54.35 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 929' ' ' VAL . 23.3 t -49.51 -54.58 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.558 ' CD1' HD22 ' A' 1036 ' ' LEU . 3.3 m-85 -61.38 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.13 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -53.01 -24.12 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.515 ' O ' ' CD1' ' A' ' 932' ' ' LEU . 37.4 t -72.97 -39.29 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 45.8 p -83.58 -29.09 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -62.51 -60.37 7.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.58 ' C ' ' CD2' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -60.57 -40.31 91.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 932' ' ' LEU . 2.3 t -65.22 -45.83 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -55.37 -48.39 74.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.64 -45.1 72.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 935' ' ' ALA . 1.6 t -37.62 -41.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 938' ' ' GLU . 9.7 mt -84.8 -67.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -36.81 -42.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.92 -62.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.444 ' HA ' ' CD1' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -50.16 -38.71 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -47.19 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.36 20.61 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.458 ' N ' ' HD2' ' A' ' 945' ' ' PRO . 1.3 mt -96.51 -61.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.563 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -47.1 -48.32 54.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -74.98 -13.93 21.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -89.44 135.09 31.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.442 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.99 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -74.98 -20.99 16.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -11.05 56.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -116.88 -3.51 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' 1002 ' ' MET . 1.1 t80 -92.14 -41.24 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -48.64 -47.83 70.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.03 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.475 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -33.57 -52.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 956' ' ' LYS . 0.4 OUTLIER -65.62 -50.52 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.49 ' N ' ' CG1' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -40.17 -35.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.19 -54.56 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -42.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -59.39 -44.37 96.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -50.9 71.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.96 55.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 995' ' ' LEU . 5.3 mt -55.78 -52.8 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -55.7 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 3.5 m -50.77 -34.06 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.423 ' CD2' HD22 ' A' ' 991' ' ' LEU . 0.9 OUTLIER -55.41 -51.8 65.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -48.43 -44.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -67.08 -63.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 925' ' ' VAL . 73.2 p -44.17 -42.6 6.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 972' ' ' SER . 57.2 t -55.62 -47.87 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.484 ' HA ' ' CD1' ' A' ' 973' ' ' LEU . 5.1 t0 -53.05 -22.4 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.488 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 4.9 tt0 -79.88 -21.3 44.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 969' ' ' VAL . 0.0 OUTLIER -89.14 -15.24 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.536 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.3 OUTLIER -58.24 -50.34 88.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.03 -40.51 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.415 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 20.9 t -58.56 -25.75 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' 1039 ' ' ILE . 0.3 OUTLIER -105.67 164.06 15.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.58 5.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.33 53.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.71 7.62 3.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.539 ' O ' ' CG1' ' A' ' 984' ' ' ILE . 1.1 p -117.95 39.52 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 984' ' ' ILE . 30.3 m170 -84.46 -110.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -44.32 -33.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.91 -42.72 98.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.539 ' CG1' ' O ' ' A' ' 980' ' ' THR . 22.6 mm -73.29 -38.16 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.27 -27.4 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -43.65 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.01 46.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 984' ' ' ILE . 1.6 mm100 -76.51 -51.06 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -50.98 67.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 995' ' ' LEU . 26.7 tp -45.44 -67.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -50.5 -61.66 2.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 23.2 t -41.13 -60.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.537 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.9 OUTLIER -59.4 -38.72 81.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -53.27 -57.74 9.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.83 -46.01 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.95 -33.77 57.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 8.5 tt -75.8 -50.64 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.414 ' CG1' HD13 ' A' ' 995' ' ' LEU . 21.2 mm -53.54 -50.62 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 11.9 t30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 2.3 tptt -52.96 -47.74 67.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -62.66 -51.12 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -42.42 -42.43 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' 1008 ' ' TYR . 8.1 mt -77.51 -36.64 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' 1002 ' ' MET . . . -51.97 -21.6 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -91.6 -24.1 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1007 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.9 OUTLIER -95.9 -11.11 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.804 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 0.2 OUTLIER -102.04 -37.67 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' 1011 ' ' THR . 3.0 p -41.13 -42.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.493 ' CE ' ' CG2' ' A' 1011 ' ' THR . 0.0 OUTLIER -36.76 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.493 ' CG2' ' CE ' ' A' 1010 ' ' MET . 73.1 p -96.96 -139.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 -4.56 10.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' 1016 ' ' GLU . 3.3 mm? -65.68 -11.62 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.447 ' OE1' ' NE2' ' A' ' 944' ' ' GLN . 1.2 tt0 -36.86 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.71 -32.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -66.84 -54.96 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.804 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 1.4 m-85 -69.51 -24.81 63.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -42.34 99.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -32.85 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -56.84 -61.74 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' 1022 ' ' LEU . 13.4 ptm -59.29 -25.67 64.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' 1021 ' ' MET . 3.4 tm? -67.69 -47.48 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.8 m -50.7 -47.16 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.75 93.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.72 -31.15 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -57.27 8.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -68.69 -35.58 77.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.537 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.2 OUTLIER -59.28 -63.63 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.7 -44.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.85 -45.17 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' 1028 ' ' LEU . 3.5 t70 -41.8 -55.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.69 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -56.51 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -43.28 -42.0 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 3.8 tt -48.76 -65.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.59 -39.21 91.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -43.15 -44.23 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 67.7 t -68.86 -38.46 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 976' ' ' LEU . 4.5 mt -56.87 -51.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.68 -43.4 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.495 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.0 OUTLIER -70.84 -29.35 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.493 ' CB ' HG23 ' A' ' 980' ' ' THR . . . -72.57 -48.62 38.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 0.0 OUTLIER -46.01 -64.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 2.2 pp -43.38 -44.18 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.422 ' N ' HD13 ' A' 1044 ' ' LEU . 0.2 OUTLIER -41.46 -31.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 30.8 ttp -88.11 -53.24 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.5 mt -46.13 -54.35 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 83.0 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.01 88.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 20.1 t 42.76 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -68.65 122.2 83.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -69.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.498 0.189 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -96.92 -171.5 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.47 113.91 22.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.26 109.48 14.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.73 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.62 36.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 89.5 p -85.9 -58.5 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.1 p30 -65.47 -19.16 65.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.01 -36.31 61.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -55.22 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 11.9 t -57.69 -45.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.3 m-85 -65.37 -29.47 70.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.67 -64.31 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -44.48 -51.02 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.519 ' O ' ' CD1' ' A' ' 932' ' ' LEU . 3.9 t -43.72 -56.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 81.3 p -70.24 -24.06 63.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -61.73 -76.16 0.26 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.566 ' C ' ' CD2' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -50.7 -39.93 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.437 ' N ' HD22 ' A' ' 932' ' ' LEU . 2.5 t -60.53 -58.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.85 -35.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -80.74 -47.04 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.9 t -38.33 -40.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.0 mt -82.44 -68.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -37.0 -46.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.471 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 40.0 mtp -44.7 -60.25 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.486 ' HA ' ' HB ' ' A' ' 943' ' ' ILE . 74.3 p -46.82 -39.03 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -88.35 29.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 940' ' ' SER . 0.2 OUTLIER -93.89 -60.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.538 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.7 OUTLIER -41.89 -49.41 10.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.02 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -37.84 124.52 0.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 951' ' ' TYR . 18.1 Cg_endo -75.07 177.74 8.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.99 -13.31 21.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.449 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -105.17 -11.08 16.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 947' ' ' PRO . 16.6 t80 -90.79 -40.1 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.63 -48.79 48.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.451 ' CE ' ' HE3' ' A' ' 942' ' ' LYS . 2.8 ttm -34.85 -54.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . . . . . . . . . 37.2 t -65.65 -53.41 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.31 -38.75 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.3 OUTLIER -59.14 -62.15 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 957' ' ' GLU . 0.3 OUTLIER -39.82 -39.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -58.55 -50.55 65.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.5 OUTLIER -52.45 -49.47 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -51.58 -54.2 30.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 995' ' ' LEU . 2.5 mt -55.73 -49.33 73.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -53.59 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 4.7 m -62.0 -41.91 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.458 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 1.0 OUTLIER -51.7 -50.43 60.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 9.9 mp -47.71 -57.43 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.03 84.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 10.2 m -53.87 -44.82 70.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 22.3 t -55.35 -46.27 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 40.5 t0 -49.1 -39.23 27.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.487 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 6.4 mt-10 -73.46 -24.0 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.497 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.33 -30.56 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -38.4 -52.26 3.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.95 -36.9 2.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 976' ' ' LEU . 55.1 t -47.99 -33.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 976' ' ' LEU . 0.0 OUTLIER -102.8 151.62 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -53.05 111.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 10.1 p 167.52 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.5 ' CG2' HD12 ' A' ' 984' ' ' ILE . 5.4 t -108.6 0.15 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 982' ' ' ARG . 7.9 m-70 -49.92 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.71 -67.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -45.89 -43.54 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.5 HD12 ' CG2' ' A' ' 980' ' ' THR . 2.8 mt -62.63 -41.75 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -45.43 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -21.0 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -73.67 -43.86 58.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -63.23 -27.34 69.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.24 -58.5 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.443 ' HG ' ' CD2' ' A' ' 962' ' ' LEU . 40.8 tp -56.89 -56.55 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -46.1 -45.46 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.76 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.8 m-20 -49.28 -30.52 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -59.43 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.59 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -45.39 -34.08 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -51.66 28.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 17.7 mm -56.11 -49.72 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.67 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -45.38 4.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1002 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -47.88 81.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -53.61 -22.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' 1008 ' ' TYR . 12.4 mt -91.54 -44.03 9.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -52.86 -19.39 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.472 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 2.3 tt0 -88.06 -28.45 21.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1007 ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' 1004 ' ' LEU . 2.4 tm0? -100.25 -4.14 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.552 ' CZ ' ' OH ' ' A' 1017 ' ' TYR . 10.5 m-85 -112.05 -8.66 14.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1011 ' ' THR . 2.4 p -73.42 -38.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.424 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' 1012 ' ' SER . 62.3 p -104.37 -108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.455 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -156.42 23.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' 1014 ' ' GLN . 1.2 mm? -81.12 -25.92 36.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -37.53 -59.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -42.6 -50.05 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.7 -55.22 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.552 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 17.6 m-85 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 8.3 mttm -48.15 -36.82 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -30.18 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1020 ' ' GLN . . . . . 0.459 ' CG ' ' HA ' ' A' 1017 ' ' TYR . 76.6 mm-40 -62.47 -60.7 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 4.6 ppp? -58.31 -31.17 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 940' ' ' SER . 2.7 tm? -56.6 -50.1 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.5 m -56.27 -41.49 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.84 81.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -61.66 -31.76 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -72.72 -50.91 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.588 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.31 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 10.3 mt -55.62 -67.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.37 -45.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -67.64 -48.45 76.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.426 ' HA ' ' ND2' ' A' 1034 ' ' ASN . 26.0 m-20 -49.5 -57.59 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.62 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' 1035 ' ' LEU . 3.0 tptt -69.7 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1034 ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' 1034 ' ' ASN . 9.2 p30 -45.16 -26.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' 1034 ' ' ASN . 5.9 tt -62.28 -67.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -41.02 -52.03 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.477 ' CG1' ' OG1' ' A' ' 980' ' ' THR . 84.5 t -63.44 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 984' ' ' ILE . 54.6 mt -59.84 -43.13 91.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1040 ' ' ASP . . . . . 0.542 ' O ' ' CD2' ' A' 1044 ' ' LEU . 1.1 t0 -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -62.24 -25.43 67.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.499 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -75.67 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 1042 ' ' ALA . 4.1 ttp-105 -35.28 -66.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' 1040 ' ' ASP . 0.2 OUTLIER -47.91 -47.07 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -44.22 -26.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -84.96 -47.24 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.3 -69.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.53 72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 174.93 -168.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 29.8 t -92.2 76.04 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 109.29 1.39 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.32 16.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1053 ' ' HIS . . . . . 0.455 ' C ' ' CD2' ' A' 1053 ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.511 0.196 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.41 -49.34 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -86.3 109.59 19.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.72 109.46 13.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.77 47.16 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.98 -37.29 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -65.51 -24.59 67.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 927' ' ' GLU . 17.7 t0 -77.63 -39.9 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -56.55 -48.66 76.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 61.2 t -56.28 -46.74 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.549 ' CD2' HD22 ' A' 1036 ' ' LEU . 5.6 m-30 -71.19 -25.39 62.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 923' ' ' ASP . 13.6 mm-40 -71.68 -42.72 67.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -53.62 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 965' ' ' LEU . 9.9 t -48.52 -52.04 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.2 p -59.48 -57.43 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.3 -25.08 25.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -75.68 -59.88 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.447 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 29.4 m -63.3 -35.19 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -38.32 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -86.45 -45.64 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -38.87 -40.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.502 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.7 mt -84.44 -67.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.62 -42.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.4 mtp -45.22 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.538 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.0 m -41.54 -32.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 941' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 0.6 OUTLIER -61.0 -53.0 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.15 28.82 6.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.586 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -93.64 -51.22 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -42.98 -52.97 10.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.5 125.79 0.51 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.437 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.05 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.05 -15.92 20.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 -18.09 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.422 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -110.23 -5.92 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.586 ' CE1' HD11 ' A' ' 943' ' ' ILE . 9.2 t80 -92.2 -41.11 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.85 -48.67 50.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.99 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.02 -53.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.493 HG23 ' CE1' ' A' ' 951' ' ' TYR . 29.4 t -68.69 -52.79 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.69 -33.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.79 -57.18 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -47.56 -38.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 958' ' ' VAL . . . -62.68 -39.39 97.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -37.86 87.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.57 -56.92 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.532 ' CD1' ' CD2' ' A' ' 991' ' ' LEU . 4.2 mm? -50.42 -48.18 56.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -47.06 -51.55 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 965' ' ' LEU . 4.2 m -64.49 -52.26 58.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.0 OUTLIER -39.15 -39.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.49 -62.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -49.53 -58.54 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 72.7 p -51.39 -41.48 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 3.1 t -61.36 -42.98 95.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.414 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.1 t0 -48.89 -38.06 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.476 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 27.7 mt-10 -75.72 -25.01 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 969' ' ' VAL . 1.5 t -85.0 -27.01 26.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.494 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.49 -52.93 9.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -35.54 3.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 40.2 t -47.22 -33.04 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 976' ' ' LEU . 0.9 OUTLIER -106.92 148.32 36.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.408 ' O ' HG21 ' A' ' 980' ' ' THR . 18.2 Cg_endo -75.03 158.76 41.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.11 176.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.5 OUTLIER 87.61 -17.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.494 ' CB ' ' HB2' ' A' 1042 ' ' ALA . 2.6 t -116.25 -12.98 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 982' ' ' ARG . 14.8 m170 -67.83 -56.65 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 13.3 mtm-85 -37.39 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 987' ' ' ALA . 1.4 tt0 -50.72 -41.83 56.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 980' ' ' THR . 4.8 mt -53.64 -45.78 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -47.96 73.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.6 mtm -73.58 -29.28 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.87 -24.54 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -80.51 -44.72 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.11 -37.98 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -59.37 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.532 ' CD2' ' CD1' ' A' ' 962' ' ' LEU . 28.7 tp -53.7 -43.94 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -63.13 -43.03 99.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.463 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 1.3 m-20 -53.96 -31.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -57.75 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.86 -53.91 49.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.32 -31.73 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' 1028 ' ' LEU . 5.5 tt -71.21 -50.87 28.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 26.5 mm -48.85 -48.78 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -62.67 -53.67 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -41.16 -42.61 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 952' ' ' VAL . 0.7 OUTLIER -65.62 -47.46 75.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -56.11 -26.64 50.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 7.1 mt -83.95 -55.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' 1009 ' ' VAL . . . -44.71 -45.14 9.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.95 -43.96 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1007 ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' 1009 ' ' VAL . 4.9 tt0 -74.48 -75.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.705 ' CZ ' ' CE1' ' A' 1017 ' ' TYR . 49.6 m-85 -28.86 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' 1007 ' ' GLN . 53.7 t -36.36 -52.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -29.43 -71.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.419 HG22 ' N ' ' A' 1012 ' ' SER . 15.3 t -71.12 -145.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' 1015 ' ' GLN . 60.7 p -112.6 -24.46 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' 1016 ' ' GLU . 1.0 OUTLIER -38.86 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' 1012 ' ' SER . 20.9 tt0 -38.25 -55.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' 1012 ' ' SER . 0.6 OUTLIER -38.64 -42.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.434 ' CB ' HD23 ' A' 1013 ' ' LEU . 6.1 tt0 -61.3 -54.11 48.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.705 ' CE1' ' CZ ' ' A' 1008 ' ' TYR . 1.7 m-85 -59.08 -35.85 74.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -48.41 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -52.51 -52.85 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.464 ' SD ' ' CE ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -47.04 -52.49 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.76 -48.48 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.62 89.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.53 -33.93 10.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.56 -53.71 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.31 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 998' ' ' LEU . 9.5 mt -58.2 -66.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.67 -39.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 45.8 t -74.4 -52.2 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -42.18 -59.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.63 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.7 OUTLIER -66.49 -50.03 64.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -57.5 -19.66 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.16 -58.29 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.549 HD22 ' CD2' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.13 -37.28 69.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.9 t70 -43.13 -63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' 1039 ' ' ILE . 7.4 p -53.81 -42.95 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 976' ' ' LEU . 12.8 mt -55.22 -44.7 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -39.61 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.508 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 9.6 tt0 -69.23 -21.82 63.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.494 ' HB2' ' CB ' ' A' ' 980' ' ' THR . . . -84.98 -56.51 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.6 ttt180 -37.93 -43.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.508 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.3 pp -67.04 -49.48 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' 1042 ' ' ALA . 26.2 mttm -40.24 -29.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' 1044 ' ' LEU . 2.9 tmm? -87.03 -54.4 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.5 mt -44.03 -57.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 6.7 t -80.28 59.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -157.29 -65.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.43 104.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.14 96.29 34.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.56 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.538 0.209 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.77 141.81 34.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.25 91.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.96 108.25 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -171.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.56 37.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 25.9 p -86.52 -47.28 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -69.56 -26.54 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.77 -49.0 12.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.25 -55.23 5.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.82 -70.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.48 ' CZ ' HD21 ' A' 1036 ' ' LEU . 5.2 m-30 -38.01 -36.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 928' ' ' ASN . 31.0 mm-40 -65.26 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 927' ' ' GLU . 3.2 t-20 -39.47 -42.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 76.3 t -55.4 -64.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 934' ' ' LYS . 80.6 p -55.65 -47.95 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.56 -45.58 46.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.54 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.1 OUTLIER -74.18 -53.3 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -31.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.0 OUTLIER -61.37 -47.87 83.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.54 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.481 HG12 ' CB ' ' A' 1025 ' ' ALA . 2.9 t -40.33 -45.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.4 mt -83.86 -65.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -36.07 -46.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.456 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 75.7 mtp -45.14 -63.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.494 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 51.2 m -42.9 -41.34 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 5.0 t -58.44 -65.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -88.09 31.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.526 ' CD1' ' CE2' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -95.22 -59.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.7 OUTLIER -43.55 -49.21 18.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.1 Cg_endo -75.01 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -37.41 126.58 0.88 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.444 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.07 177.04 9.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.05 -14.52 21.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.03 -16.68 27.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.455 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -112.83 -10.07 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 3.6 t80 -91.85 -40.01 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -49.41 -47.72 76.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.97 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 953' ' ' PRO . 10.2 ttm -34.49 -51.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' 1002 ' ' MET . 13.5 t -71.16 -52.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -41.33 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -56.0 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 962' ' ' LEU . 74.9 t -40.47 -58.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -43.87 -49.0 7.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -54.88 29.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.09 -58.94 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 958' ' ' VAL . 1.2 mp -53.09 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -48.05 -55.95 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 3.3 m -58.98 -40.48 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 59.1 tp -55.05 -53.54 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 11.0 mp -42.46 -55.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.13 -48.73 80.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 20.4 m -54.58 -42.65 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 9.3 t -56.62 -46.48 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.71 -39.1 23.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 22.6 mt-10 -76.81 -23.82 52.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.88 -26.16 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.522 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.03 -50.82 13.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -35.36 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.446 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 4.4 t -46.86 -32.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.9 OUTLIER -109.68 146.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' 1042 ' ' ALA . 18.3 Cg_endo -74.99 161.92 38.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.24 175.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.2 t 87.59 -17.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.493 ' CB ' ' HB1' ' A' 1042 ' ' ALA . 5.7 t -116.25 -17.21 10.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 978' ' ' ALA . 15.8 m170 -62.49 -56.5 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 981' ' ' HIS . 10.7 ttm180 -38.24 -74.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -50.62 -40.35 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.431 ' CG1' ' O ' ' A' ' 980' ' ' THR . 7.2 mt -55.1 -52.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -42.7 61.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.1 mtt -71.19 -28.84 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.52 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -69.87 -49.84 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -60.59 -34.0 73.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -47.72 74.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.458 ' CD2' HD23 ' A' ' 962' ' ' LEU . 41.7 tp -57.55 -60.39 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -47.12 -53.46 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -68.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.448 ' CB ' HD21 ' A' 1028 ' ' LEU . 0.4 OUTLIER -49.42 -38.13 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.78 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.27 -46.28 24.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.8 -28.89 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.426 ' CD1' HD11 ' A' 1028 ' ' LEU . 2.5 tt -79.54 -48.91 13.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.46 -55.12 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -52.37 -49.56 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -51.76 -43.01 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.41 ' HB2' ' CG2' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -68.13 -40.48 82.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -55.12 -27.79 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.5 mt -95.96 -33.79 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.402 ' O ' ' HB ' ' A' 1009 ' ' VAL . . . -68.36 -8.29 38.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 21.0 tm0? -79.37 -35.11 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1007 ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' 1009 ' ' VAL . 31.3 tt0 -98.13 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.544 ' CZ ' ' OH ' ' A' 1017 ' ' TYR . 12.6 m-85 -37.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' 1007 ' ' GLN . 2.9 p -41.15 -40.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.53 ' CE ' ' O ' ' A' 1010 ' ' MET . 0.0 OUTLIER -72.74 52.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' 1008 ' ' TYR . 6.0 t -175.37 173.91 2.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' 1015 ' ' GLN . 8.8 m -66.34 -31.8 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.418 ' HB2' ' CG2' ' A' 1011 ' ' THR . 1.5 mt -51.0 -29.16 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' 1013 ' ' LEU . 3.6 tt0 -38.11 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' 1012 ' ' SER . 4.1 pt20 -47.58 -38.8 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.16 -50.59 71.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.544 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 2.5 m-85 -59.34 -34.86 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 943' ' ' ILE . 8.9 mptt -54.56 -47.33 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -57.07 -44.65 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -51.62 -47.66 63.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.1 tmm? -51.21 -44.8 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -38.66 82.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.8 m -49.03 -49.34 41.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.49 13.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1025 ' ' ALA . . . . . 0.481 ' CB ' HG12 ' A' ' 936' ' ' VAL . . . -47.8 -26.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 69.6 t60 -73.97 -58.28 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1027 ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' 1031 ' ' ASP . . . -63.64 -35.14 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.448 HD21 ' CB ' ' A' ' 994' ' ' ASP . 7.0 mt -49.04 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' 1033 ' ' LYS . . . -50.4 -35.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' 1033 ' ' LYS . 4.8 t -70.42 -72.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.443 ' N ' HG12 ' A' 1030 ' ' VAL . 0.9 OUTLIER -45.82 -40.28 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.6 84.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' 1029 ' ' ALA . 15.9 mmtt -72.02 -51.55 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -49.95 -31.53 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.87 -67.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.18 -42.31 99.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -42.01 -44.68 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 90.3 t -65.03 -43.44 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' 1036 ' ' LEU . 7.8 mt -54.5 -47.21 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.76 -40.74 60.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.499 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 10.4 mt-30 -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.493 ' HB1' ' CB ' ' A' ' 980' ' ' THR . . . -76.14 -58.15 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -35.6 -58.71 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 1.7 pp -51.79 -49.03 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.1 OUTLIER -46.92 -27.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.3 ttp -85.45 -49.0 8.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mp -60.08 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 93.9 p -78.63 66.91 4.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -169.18 -69.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 9.3 t -159.33 102.14 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1051 ' ' ARG . . . . . 0.494 ' N ' ' CD ' ' A' 1052 ' ' PRO . 0.1 OUTLIER -67.83 -51.54 28.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1052 ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' 1051 ' ' ARG . 18.2 Cg_endo -74.99 143.87 29.62 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.539 0.209 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 918' ' ' LEU . . . -103.99 99.51 9.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.43 82.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 916' ' ' ALA . 0.2 OUTLIER -125.13 69.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.16 -164.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.12 13.7 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 22.4 m -86.55 -67.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.498 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.8 p30 -57.71 -17.92 18.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -66.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -45.79 -50.52 13.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.5 ' CG2' ' OG ' ' A' ' 972' ' ' SER . 46.7 t -54.92 -62.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.595 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 3.3 m-85 -53.4 -35.11 60.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 930' ' ' THR . 11.0 mm-40 -70.91 -50.33 36.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.34 -49.29 77.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 74.3 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.8 p -54.89 -54.99 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.86 -32.19 55.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -68.8 -59.49 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.433 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 35.0 m -62.28 -40.54 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.1 OUTLIER -48.54 -39.2 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.42 -45.05 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 935' ' ' ALA . 5.3 t -37.38 -42.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 45.8 mt -83.91 -67.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -31.98 -45.69 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 3.3 mtp -48.49 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 8.2 p -37.38 -34.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.0 t -63.78 -52.67 59.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.557 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -102.54 25.89 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -92.95 -51.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.4 OUTLIER -48.18 -50.99 52.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.04 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.56 124.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.46 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 177.12 9.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.01 -16.78 19.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.03 -14.21 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.446 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -114.98 -6.6 12.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.567 ' CE1' HD13 ' A' ' 943' ' ' ILE . 8.9 t80 -90.83 -43.08 10.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.2 -48.22 55.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.06 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.539 ' CE ' HG12 ' A' ' 943' ' ' ILE . 10.8 ttm -38.38 -66.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 999' ' ' ILE . 7.8 t -56.19 -51.12 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -42.85 -41.35 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 73.6 t -44.24 -39.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -43.49 99.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -43.28 95.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.95 95.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.431 ' CD1' ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.57 -40.09 96.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . 0.412 ' N ' HD22 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -52.46 -54.56 30.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 965' ' ' LEU . 8.3 m -57.61 -49.44 76.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 1.0 OUTLIER -39.12 -48.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -48.49 -57.74 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 59.7 p -51.41 -45.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 22.7 t -55.43 -40.75 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 7.0 t0 -54.32 -38.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 17.4 mt-10 -71.57 -25.19 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.5 ' OG ' ' CG2' ' A' ' 925' ' ' VAL . 0.3 OUTLIER -84.51 -30.47 25.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.487 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -37.32 -53.03 2.29 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.0 -37.43 2.03 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 54.1 t -47.82 -32.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.5 OUTLIER -107.59 158.48 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 979' ' ' SER . 18.3 Cg_endo -74.99 145.25 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -42.17 -28.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 977' ' ' PRO . 28.1 t -37.62 -34.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.641 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 3.6 t -116.57 54.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -81.86 -83.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 985' ' ' GLU . 15.0 tpp180 -44.59 -62.16 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 982' ' ' ARG . 44.6 mt-10 -36.31 -53.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 980' ' ' THR . 1.5 mt -58.01 -48.78 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 982' ' ' ARG . 1.0 OUTLIER -60.64 -36.97 79.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.3 mtp -77.01 -27.85 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.42 70.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -71.28 -51.7 23.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -25.02 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -55.37 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.13 -58.6 6.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -49.46 -52.14 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.35 -68.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.493 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 4.1 m-20 -50.42 -42.39 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -40.12 -48.25 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.22 -44.58 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.4 OUTLIER -60.99 -39.11 88.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.473 HD12 ' CG1' ' A' ' 955' ' ' VAL . 2.8 mm -62.93 -62.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.58 -34.28 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -56.83 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' 1003 ' ' LYS . 0.0 OUTLIER -55.66 -17.93 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.3 mtpt -75.31 -38.86 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.94 -43.49 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -54.0 -31.31 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 948' ' ' PRO . 5.0 mm100 -60.44 -34.27 73.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.88 -30.04 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.604 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 21.0 m-85 -88.44 32.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' 1011 ' ' THR . 2.5 p -117.76 -40.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.428 ' O ' ' CB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -65.14 65.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER 171.44 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.5 p 155.75 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -39.93 -30.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' 1012 ' ' SER . 47.9 tp60 -38.27 -57.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -39.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 1013 ' ' LEU . 26.7 tt0 -69.63 -67.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.604 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 18.5 m-85 -55.19 -17.79 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.455 ' NZ ' ' CB ' ' A' ' 940' ' ' SER . 0.0 OUTLIER -65.96 -58.85 4.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1019 ' ' LYS . . . . . 0.407 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 0.0 OUTLIER -50.38 -39.65 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 10.2 mmm -51.42 -41.03 60.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -34.57 78.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -52.81 -51.74 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.18 62.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -59.21 -32.49 69.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -53.42 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.89 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.493 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 9.0 mt -56.15 -66.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.07 -42.1 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.8 t -70.82 -51.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' 1028 ' ' LEU . 1.7 m-20 -43.64 -61.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -53.52 -31.92 48.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.7 tptt -69.37 -54.35 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -51.83 -31.03 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.402 ' O ' HG11 ' A' 1038 ' ' VAL . 10.3 tt -58.65 -61.08 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.595 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.13 -40.84 82.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -44.1 -59.91 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' 1039 ' ' ILE . 0.5 OUTLIER -54.26 -35.74 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.48 ' CG2' ' HG ' ' A' ' 976' ' ' LEU . 5.3 mt -67.15 -46.34 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -43.51 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.484 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.0 OUTLIER -67.81 -21.85 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.641 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -87.63 -58.15 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -38.79 -37.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.6 pp -74.74 -47.95 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.3 OUTLIER -38.95 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' 1044 ' ' LEU . 1.0 OUTLIER -79.44 -54.49 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.61 -72.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 2.9 m -71.14 82.96 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.07 -60.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.3 t -115.69 -61.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 146.36 16.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -58.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.534 0.207 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.78 -174.04 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -52.92 137.62 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 61.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.46 -177.24 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -88.84 35.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.0 p -87.15 -49.51 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.56 -26.11 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.2 OUTLIER -80.17 -48.32 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -61.19 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 60.8 t -50.87 -66.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.68 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 3.6 m-30 -47.27 -32.78 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 923' ' ' ASP . 4.2 tm-20 -72.09 -64.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -49.04 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 80.4 t -50.2 -56.18 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 931' ' ' GLY . 6.1 p -66.28 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.71 -53.33 0.64 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -63.38 -51.26 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' 1029 ' ' ALA . 1.6 t -55.53 -61.98 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 930' ' ' THR . 10.1 mtpt -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.46 -51.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 935' ' ' ALA . 84.1 t -39.23 -39.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.453 ' CD1' ' N ' ' A' ' 937' ' ' ILE . 1.8 mm -84.55 -66.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -35.98 -45.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 943' ' ' ILE . 5.7 ttp -50.97 -59.58 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.542 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.6 p -45.48 -36.43 4.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -33.07 75.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -118.66 24.63 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.598 HD11 ' CD1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -94.71 -48.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.2 tt0 -47.02 -52.52 33.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.5 Cg_endo -75.0 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.37 129.23 0.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 176.7 9.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -17.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.98 -14.38 39.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -113.82 -10.79 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.598 ' CD1' HD11 ' A' ' 943' ' ' ILE . 11.9 t80 -91.06 -34.18 15.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.577 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.65 -47.84 83.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -29.59 -61.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 951' ' ' TYR . 2.2 t -63.16 -53.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -48.98 79.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 37.2 t -50.27 -46.18 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.9 88.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -40.26 87.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -53.07 -43.52 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.468 ' CD1' ' CD1' ' A' ' 995' ' ' LEU . 72.2 mt -54.93 -57.11 12.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -47.02 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 30.3 m -73.24 -50.01 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.1 OUTLIER -47.22 -39.9 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -60.31 -62.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.28 -57.03 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 965' ' ' LEU . 72.2 p -47.23 -47.16 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 41.5 t -57.29 -40.42 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.418 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t0 -50.02 -37.96 35.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.493 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 17.9 mt-10 -75.76 -23.63 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.5 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 3.0 t -85.18 -28.0 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.32 -52.24 10.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 972' ' ' SER . 25.2 t -47.14 -30.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.2 mm? -110.65 158.09 36.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -72.93 57.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 4.5 t -123.1 -30.64 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.58 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 0.1 OUTLIER -116.38 16.34 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 2.6 m170 -48.66 -96.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 2.8 ptt180 -37.13 -45.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.17 -53.91 30.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.536 ' CD1' ' CG1' ' A' 1039 ' ' ILE . 1.3 mt -59.7 -36.57 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.48 -42.21 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -26.84 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -75.16 -21.51 58.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -77.3 -47.92 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -66.07 -33.22 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.76 -65.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.26 -47.85 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -56.8 -57.82 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.75 -63.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.493 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 2.8 m-20 -51.42 -56.73 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.468 ' CD1' ' CD1' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -46.73 -54.02 10.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.06 -36.54 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.88 -31.01 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 995' ' ' LEU . 1.8 tt -75.2 -40.03 59.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.482 ' CD1' HG11 ' A' ' 955' ' ' VAL . 47.0 mm -54.21 -45.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' LYS . 49.3 t30 -62.04 -55.71 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.69 -46.3 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 952' ' ' VAL . 0.0 OUTLIER -64.42 -36.63 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1000 ' ' ASN . 1.0 OUTLIER -64.8 -21.76 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.72 -46.37 10.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.351 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -59.58 -15.21 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -32.0 66.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1007 ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' 1010 ' ' MET . 0.3 OUTLIER -107.49 -23.14 12.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.422 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.4 m-85 -86.0 4.0 39.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1009 ' ' VAL . . . . . . . . . . . . . 1.7 p -79.99 -40.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -51.36 -19.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' 1012 ' ' SER . 1.4 t -114.99 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.539 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -89.52 17.66 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -80.9 -33.39 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -36.52 -66.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -34.12 -38.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.6 OUTLIER -67.94 -67.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.422 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -55.02 -19.7 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' 1021 ' ' MET . 6.2 mptt -66.74 -48.82 67.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -63.53 -25.7 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -68.4 -58.97 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.5 ptm -52.3 -24.33 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -71.24 -45.62 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.3 m -49.56 -44.75 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -75.8 -47.18 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.94 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.88 -56.03 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.35 80.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.493 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 10.1 mt -54.56 -65.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 933' ' ' VAL . . . -38.95 -45.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.4 t -68.98 -53.07 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -41.14 -62.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -50.02 -36.25 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.4 tptt -63.1 -46.21 88.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.92 -39.97 72.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' 1038 ' ' VAL . 8.5 tt -49.17 -57.8 6.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.68 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -73.17 -39.23 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 47.7 t0 -45.64 -51.53 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' 1035 ' ' LEU . 12.3 p -63.27 -34.71 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.536 ' CG1' ' CD1' ' A' ' 984' ' ' ILE . 11.4 mt -63.16 -50.12 80.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -45.81 47.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.5 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.2 OUTLIER -65.62 -21.56 66.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.58 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -83.51 -56.72 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.436 ' HG3' ' CE ' ' A' 1046 ' ' MET . 10.3 ttp180 -43.26 -42.68 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.6 pp -72.2 -36.55 69.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1042 ' ' ALA . 8.3 tmtt? -53.02 -20.79 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.436 ' CE ' ' HG3' ' A' 1043 ' ' ARG . 0.0 OUTLIER -89.03 -39.68 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1047 ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' 1046 ' ' MET . 3.2 mt -67.15 -57.16 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -66.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.82 95.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.91 117.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -111.09 100.74 48.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 7.6 t-160 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.648 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.69 132.05 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -87.75 80.94 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 2.6 mp -124.91 109.49 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.82 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.5 -50.29 7.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 2.7 m-20 -77.2 -1.44 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -48.45 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.87 -49.88 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.64 -49.12 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.573 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.8 m-30 -64.26 -37.36 87.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 928' ' ' ASN . 3.5 mm-40 -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . 0.43 ' HB2' ' CD1' ' A' ' 965' ' ' LEU . 15.3 m120 -40.38 -51.54 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 965' ' ' LEU . 60.8 t -47.59 -62.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.4 p -61.21 -60.92 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -38.35 -50.96 2.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.17 -50.39 48.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' 1032 ' ' ALA . 2.1 t -52.21 -32.68 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.6 -50.5 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -64.18 -42.74 96.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.7 t -38.96 -49.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.0 mt -84.92 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.69 -42.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 13.6 ttm -46.44 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.3 m -38.16 -35.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -51.08 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.63 26.91 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.524 ' CG2' ' CD ' ' A' 1018 ' ' LYS . 0.3 OUTLIER -93.93 -51.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.0 tt0 -45.85 -51.86 28.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.99 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.89 131.39 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.447 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.0 -16.82 20.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.4 -18.86 29.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.2 tp10 -106.19 -4.76 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' 1002 ' ' MET . 1.1 t80 -91.95 -43.6 9.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -54.55 -47.17 98.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -74.95 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 953' ' ' PRO . 1.6 tmm? -32.58 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' 1002 ' ' MET . 75.9 t -67.68 -54.62 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -46.75 -36.69 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -53.09 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 962' ' ' LEU . 2.2 t -43.5 -57.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.6 -44.85 8.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.45 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 995' ' ' LEU . 1.1 mt -56.94 -47.38 80.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.24 -53.81 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 1.2 m -58.5 -27.44 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 10.0 tp -59.64 -44.25 93.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.99 -49.56 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.35 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 38.0 p -45.71 -47.52 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 39.7 t -57.14 -41.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.412 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 10.5 t0 -49.25 -35.24 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.511 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 11.8 mt-10 -79.88 -24.06 41.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.6 OUTLIER -86.13 -28.54 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.518 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.17 -50.8 14.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.04 -35.69 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.423 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 17.5 t -47.43 -33.22 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.9 OUTLIER -109.46 159.61 30.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 981' ' ' HIS . 18.3 Cg_endo -75.0 175.14 11.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -81.14 49.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -20.78 8.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.998 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.615 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 1.8 t -116.77 -9.58 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 977' ' ' PRO . 13.8 m170 -48.31 -59.45 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -44.31 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 987' ' ' ALA . 7.7 mt-10 -49.32 -47.63 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 980' ' ' THR . 12.8 mt -51.1 -49.54 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -50.06 57.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.9 mtm -72.51 -28.19 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.52 -37.75 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.56 -44.73 81.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.28 68.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -56.75 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.443 ' HG ' ' CD2' ' A' ' 962' ' ' LEU . 10.3 tp -56.03 -59.32 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -45.31 -45.78 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.474 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 0.8 OUTLIER -49.48 -32.57 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -58.67 -60.74 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.5 -54.57 35.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -52.96 -23.7 7.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.24 -48.2 71.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.485 ' CD1' HD11 ' A' ' 995' ' ' LEU . 4.2 mp -62.73 -59.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.2 -43.63 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -63.04 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -51.67 -26.42 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.6 mtpt -59.51 -43.87 93.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' 1008 ' ' TYR . 12.1 mt -78.54 -29.56 46.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -55.31 -27.0 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CG2' ' A' ' 952' ' ' VAL . 0.5 OUTLIER -93.3 -18.77 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -100.23 -1.21 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.633 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 5.4 m-85 -110.75 -16.02 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' 1010 ' ' MET . 2.2 p -67.55 -26.95 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -33.43 -45.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' 1012 ' ' SER . 9.7 t -97.84 -56.91 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.4 t 152.33 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' 1016 ' ' GLU . 1.0 OUTLIER -83.61 -19.73 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' 1018 ' ' LYS . 2.8 tt0 -36.84 -67.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' 1014 ' ' GLN . 1.9 pp0? -33.85 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' 1013 ' ' LEU . 16.7 tt0 -73.14 -68.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.633 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 7.8 m-85 -59.62 -13.82 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.08 -56.81 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1019 ' ' LYS . . . . . 0.439 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 3.4 mmpt? -57.01 -33.67 67.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -63.88 -55.35 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 2.0 mmm -43.61 -38.68 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 940' ' ' SER . 3.0 tm? -64.07 -47.88 78.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -41.54 -48.43 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.0 61.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.87 -35.14 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -63.9 -55.99 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.639 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.38 84.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 998' ' ' LEU . 11.2 mt -58.16 -65.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.57 -40.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.9 t -74.18 -54.48 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -42.02 -56.34 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 933' ' ' VAL . . . -56.9 -37.01 70.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -67.14 -59.79 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -43.27 -32.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.4 -69.1 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -43.9 -46.38 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 85.3 t -66.56 -34.76 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' 1036 ' ' LEU . 9.0 mt -65.55 -51.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 6.3 t0 -46.68 -46.6 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.503 ' O ' ' CD1' ' A' 1044 ' ' LEU . 28.2 tt0 -68.7 -25.94 65.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.82 -29.04 32.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' 1039 ' ' ILE . 0.8 OUTLIER -57.37 -64.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' 1044 ' ' LEU . 0.0 OUTLIER -60.31 -26.02 66.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' 1041 ' ' GLN . 1.8 tttp -52.54 -26.85 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -21.98 30.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1047 ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 6.9 mm -59.05 -59.72 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.96 76.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.95 38.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.02 -46.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -65.2 112.3 7.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.63 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 17.0 t60 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 915' ' ' MET . . . . . 0.426 ' CA ' HD11 ' A' ' 918' ' ' LEU . 3.0 ptm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.509 0.195 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -100.19 -83.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.65 100.74 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . 0.455 ' O ' ' ND2' ' A' ' 922' ' ' ASN . 1.4 mp -122.91 41.08 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 923' ' ' ASP . 4.7 p30 -104.06 43.47 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 -81.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 23.1 m -82.3 -53.03 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 43.8 p-10 -55.23 -18.42 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 919' ' ' ASP . 0.9 OUTLIER -74.78 -26.86 60.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -76.28 -41.46 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 968' ' ' THR . 2.8 t -74.75 -36.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.5 m-30 -70.89 -23.2 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 961' ' ' ALA . 1.7 t-20 -46.05 -38.08 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.561 ' O ' ' CD1' ' A' ' 932' ' ' LEU . 1.9 t -58.65 -63.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.412 ' HB ' ' CE ' ' A' ' 934' ' ' LYS . 41.6 p -58.69 -30.19 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.65 -81.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.577 ' C ' ' CD2' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -50.5 -39.92 49.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.498 ' CG2' ' CB ' ' A' 1032 ' ' ALA . 2.5 t -56.13 -54.57 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.412 ' CE ' ' HB ' ' A' ' 930' ' ' THR . 19.2 mtmt -55.22 -39.8 70.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -67.91 -50.59 55.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 935' ' ' ALA . 56.3 t -34.89 -44.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.467 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.6 mp -83.97 -66.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -40.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.0 OUTLIER -51.86 -69.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.513 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 93.3 p -41.11 -33.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -46.47 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -105.9 23.51 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -92.96 -50.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -39.0 -53.08 3.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.06 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.469 ' HB2' ' HA ' ' A' ' 943' ' ' ILE . . . -36.23 125.49 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.48 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.02 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.03 -18.89 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.27 -14.04 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.493 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -113.43 -5.11 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.589 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.9 t80 -92.65 -36.61 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -51.87 -46.13 92.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.98 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.87 -55.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 999' ' ' ILE . 2.1 t -63.24 -49.55 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.95 -38.27 35.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.33 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.32 -49.26 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -59.26 -21.7 54.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.52 -43.97 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . . . -67.85 -43.96 78.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 962' ' ' LEU . 0.0 OUTLIER -64.03 -33.86 76.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . 0.413 ' N ' HD12 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -57.04 -57.62 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 18.9 m -52.27 -46.48 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 991' ' ' LEU . 1.7 tm? -46.47 -54.78 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 5.6 mp -42.57 -60.22 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.16 83.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.462 ' CG2' HG22 ' A' ' 925' ' ' VAL . 4.1 m -55.44 -45.48 76.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 972' ' ' SER . 98.8 t -53.35 -45.32 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -49.35 -41.82 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.443 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 43.2 tt0 -74.49 -23.15 58.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.424 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 12.1 t -86.7 -18.07 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -51.75 -53.16 53.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.55 3.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 48.4 t -47.82 -26.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.478 ' CD1' HG23 ' A' 1039 ' ' ILE . 0.4 OUTLIER -105.37 160.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.493 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -42.66 116.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.1 p 158.24 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.61 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 2.0 t -101.4 -0.43 35.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -62.12 -42.19 98.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' 1038 ' ' VAL . 11.6 mt-10 -51.12 -39.39 56.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 980' ' ' THR . 27.3 mt -55.66 -51.64 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.22 -51.2 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -28.47 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.19 -55.49 21.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -32.46 55.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' A' ' 994' ' ' ASP . 0.1 OUTLIER -58.61 -52.92 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 965' ' ' LEU . 13.9 tp -45.63 -60.23 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -54.3 -59.89 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -59.41 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.559 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.0 OUTLIER -57.38 -48.92 77.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.2 OUTLIER -51.35 -57.11 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.02 -44.35 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -37.57 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 995' ' ' LEU . 1.4 tt -78.31 -45.51 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.433 ' CD1' HG11 ' A' ' 955' ' ' VAL . 39.9 mm -55.08 -43.47 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 27.5 t30 -66.71 -55.88 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 9.9 mmtm -39.88 -37.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' 1003 ' ' LYS . 0.1 OUTLIER -75.74 -47.04 27.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.433 ' HA ' ' CE ' ' A' 1002 ' ' MET . 0.7 OUTLIER -53.42 -23.01 8.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' 1007 ' ' GLN . 17.7 mt -90.72 -48.05 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.511 ' O ' ' CG1' ' A' 1009 ' ' VAL . . . -49.25 -25.53 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -67.46 -36.0 80.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1007 ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.0 OUTLIER -94.99 -28.85 14.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.77 ' CD2' ' CE1' ' A' 1017 ' ' TYR . 30.8 m-85 -92.75 36.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' 1005 ' ' ALA . 2.4 p -125.23 -42.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.86 57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.1 OUTLIER -177.23 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.9 OUTLIER 157.59 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.3 OUTLIER -44.18 -27.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.47 ' CG ' ' HE2' ' A' 1018 ' ' LYS . 0.5 OUTLIER -35.27 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -36.93 -35.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' 1013 ' ' LEU . 2.8 tt0 -68.43 -60.32 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.77 ' CE1' ' CD2' ' A' 1008 ' ' TYR . 4.4 m-85 -67.95 -13.34 62.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.47 ' HE2' ' CG ' ' A' 1014 ' ' GLN . 4.7 tptt -68.61 -50.37 52.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -40.21 96.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -56.24 -52.97 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.442 ' CE ' HD12 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -47.55 -46.23 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -53.32 -54.07 41.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.7 m -38.28 -50.87 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.64 -53.09 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1025 ' ' ALA . . . . . 0.407 ' CB ' HG11 ' A' ' 936' ' ' VAL . . . -47.62 -26.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.16 -57.61 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -71.29 -34.69 70.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.559 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.9 OUTLIER -61.34 -63.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 937' ' ' ILE . . . -42.43 -41.04 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.0 t -73.15 -51.68 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.58 -55.25 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.498 ' CB ' ' CG2' ' A' ' 933' ' ' VAL . . . -55.68 -41.59 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 15.5 mmtt -63.3 -45.34 91.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 18.3 t30 -56.32 -27.83 56.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.512 ' O ' ' CG1' ' A' 1038 ' ' VAL . 1.0 OUTLIER -63.36 -62.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.527 HD23 ' CD1' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -66.6 -37.87 85.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -39.76 -63.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' 1035 ' ' LEU . 2.9 p -52.99 -41.49 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.478 HG23 ' CD1' ' A' ' 976' ' ' LEU . 4.5 mt -59.73 -48.7 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.478 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.2 OUTLIER -63.49 -25.32 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -77.35 -55.91 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -36.84 -57.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -52.83 -48.59 66.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' 1044 ' ' LEU . 7.6 tmtm? -39.88 -30.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.493 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 16.8 ttp -91.06 -51.93 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.6 -50.32 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -48.4 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.29 99.02 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 7.4 t -172.07 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -62.81 112.06 6.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.55 0.214 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -44.4 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -40.53 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.08 59.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.49 39.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 2.0 t -86.18 -16.41 37.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 5.8 t30 -57.34 -48.19 79.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.46 -39.76 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -55.23 -71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.476 HG22 ' CG2' ' A' ' 968' ' ' THR . 86.5 t -44.34 -53.37 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.9 m-85 -53.06 -49.95 65.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 928' ' ' ASN . 0.7 OUTLIER -65.67 -63.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 927' ' ' GLU . 34.2 m120 -38.81 -40.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 965' ' ' LEU . 2.2 t -58.59 -66.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.513 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 80.8 p -45.05 -54.9 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.83 -32.7 48.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.57 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -74.61 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.47 ' CG1' ' HB1' ' A' 1032 ' ' ALA . 30.0 m -57.04 -51.78 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 930' ' ' THR . 2.0 mmpt? -42.93 -44.3 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -73.24 -50.38 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 935' ' ' ALA . 9.1 t -35.68 -41.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 938' ' ' GLU . 26.5 mt -84.65 -67.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.49 -47.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.497 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.3 ttp -47.07 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.531 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 34.1 m -39.51 -34.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -50.97 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.65 28.19 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.01 -51.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.27 -51.38 34.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -36.32 127.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.05 -13.98 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.42 -20.2 23.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -107.74 -9.63 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.582 ' CE1' HG21 ' A' ' 955' ' ' VAL . 3.5 t80 -90.67 -41.34 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.541 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -44.7 -49.69 26.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -30.08 -50.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.582 HG21 ' CE1' ' A' ' 951' ' ' TYR . 14.3 t -68.88 -54.76 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 953' ' ' PRO . 5.3 mmtp -39.85 -31.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.45 -57.77 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -49.99 -44.61 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.71 -37.33 68.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -51.1 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -47.67 -56.75 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.408 HD23 ' CD1' ' A' ' 991' ' ' LEU . 1.6 mt -52.26 -49.24 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.29 -57.2 12.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.0 m -56.4 -46.76 79.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 929' ' ' VAL . 0.8 OUTLIER -49.58 -49.57 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -57.88 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 970' ' ' ASP . . . -55.84 -52.86 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.476 ' CG2' HG22 ' A' ' 925' ' ' VAL . 4.6 m -47.26 -47.41 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 972' ' ' SER . 55.3 t -55.84 -38.1 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.427 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 19.4 t0 -48.58 -45.59 38.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.481 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.5 mt-10 -69.01 -22.74 64.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.496 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.6 OUTLIER -85.81 -26.58 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.1 -51.28 7.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -74.95 -36.51 2.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.438 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 17.1 t -48.03 -33.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.5 OUTLIER -110.21 160.35 28.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.486 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 162.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -39.4 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 977' ' ' PRO . 0.3 OUTLIER -48.01 -22.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.671 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 18.1 p -98.8 30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 11.3 m170 -86.88 -99.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.557 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.472 ' HB3' ' CE ' ' A' ' 986' ' ' MET . 0.0 OUTLIER -54.16 -39.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.9 -42.78 72.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.556 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 1.3 mt -74.14 -36.05 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.13 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 986' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -68.31 -42.27 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' A' 1035 ' ' LEU . . . -74.39 -30.85 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . 0.412 ' CG ' HD23 ' A' 1035 ' ' LEU . 4.9 mt-30 -66.42 -54.75 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -53.87 -35.68 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -63.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.408 ' CD1' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.33 -49.56 23.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -60.19 -49.93 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.74 -64.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.467 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.6 OUTLIER -56.22 -34.33 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -54.32 -58.37 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.61 19.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -35.45 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -50.05 58.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 11.1 mm -55.15 -44.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1001 ' ' LYS . 1.1 t-20 -64.49 -52.6 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.0 OUTLIER -39.21 -36.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1002 ' ' MET . . . . . . . . . . . . . 7.0 tmm? -74.86 -49.81 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -53.43 -23.27 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.404 ' HB3' ' CE2' ' A' 1008 ' ' TYR . 20.1 mt -90.87 -48.07 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -61.42 -13.99 24.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.405 ' NE2' HG22 ' A' ' 952' ' ' VAL . 0.3 OUTLIER -85.57 -30.3 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -102.31 -4.3 25.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.738 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 2.8 m-85 -105.0 -20.88 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1009 ' ' VAL . . . . . . . . . . . . . 1.6 p -58.84 -39.32 77.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -29.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' 1012 ' ' SER . 8.9 t -105.63 -142.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.432 ' N ' ' OG1' ' A' 1011 ' ' THR . 37.6 m -113.16 -21.9 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' 1017 ' ' TYR . 0.2 OUTLIER -44.12 -26.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' 1018 ' ' LYS . 1.0 OUTLIER -37.41 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' 1014 ' ' GLN . 2.9 pt20 -37.47 -37.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.6 OUTLIER -69.53 -61.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.738 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 14.1 m-85 -60.6 -19.96 59.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.437 ' HE3' ' CD1' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -68.1 -43.34 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -37.91 89.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -55.95 -47.36 77.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -47.84 72.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -50.86 -47.04 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.3 m -47.3 -52.01 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.99 99.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -56.12 -30.13 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 67.5 t60 -72.3 -54.83 8.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.66 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 10.6 mt -56.97 -66.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.52 -44.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' 1033 ' ' LYS . 13.6 t -69.86 -55.97 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -41.02 -56.29 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.47 ' HB1' ' CG1' ' A' ' 933' ' ' VAL . . . -59.77 -36.81 77.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.2 OUTLIER -61.67 -66.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1034 ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' 1038 ' ' VAL . 4.6 m-20 -38.5 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 987' ' ' ALA . 0.6 OUTLIER -59.07 -69.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -71.53 -44.22 65.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1037 ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' 1033 ' ' LYS . 6.3 t0 -41.73 -41.48 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' 1034 ' ' ASN . 49.0 t -71.97 -40.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' 1036 ' ' LEU . 22.2 mt -55.46 -56.81 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.27 -44.71 16.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1041 ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -75.49 -24.85 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.671 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -75.32 -51.38 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -47.6 -59.83 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' 1045 ' ' LYS . 4.0 pp -54.19 -34.44 60.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.427 ' N ' HD11 ' A' 1044 ' ' LEU . 0.2 OUTLIER -52.31 -22.55 4.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' 1047 ' ' ILE . 0.2 OUTLIER -92.21 -38.93 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1047 ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' 1046 ' ' MET . 5.3 mt -64.16 -48.39 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 31.8 m -57.34 -69.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.1 -62.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 13.8 t -43.19 -62.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -60.67 119.97 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.76 2.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.488 0.185 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.0 -171.96 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.99 90.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.16 114.51 19.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 15.3 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 3.4 m -83.02 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' A' ' 926' ' ' TYR . 19.1 t-20 -58.0 -17.23 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 925' ' ' VAL . 0.4 OUTLIER -75.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -41.46 -31.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.404 ' N ' ' C ' ' A' ' 923' ' ' ASP . 21.1 t -78.16 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 4.7 m-30 -54.22 -28.49 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.41 -64.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.95 -36.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.04 -65.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 934' ' ' LYS . 66.6 p -56.58 -63.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.365 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.06 -54.23 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -64.26 -48.89 74.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.4 t -60.09 -33.68 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.3 OUTLIER -57.99 -39.32 77.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.74 -40.94 32.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.7 t -39.19 -45.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.3 mp -84.83 -65.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -34.91 -41.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 942' ' ' LYS . 31.9 ttm -46.72 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.565 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 16.7 t -44.28 -31.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -43.33 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -111.9 27.6 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.578 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.38 -50.41 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -46.61 -51.87 34.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.0 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -35.79 126.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.467 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.97 177.57 8.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -75.0 -16.53 20.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -17.31 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.235 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.42 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -110.19 -3.62 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.578 ' CE1' HD13 ' A' ' 943' ' ' ILE . 12.6 t80 -93.73 -42.86 8.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -51.77 -46.51 91.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.97 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.454 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 5.2 ttp -37.04 -43.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 999' ' ' ILE . 11.6 t -71.5 -56.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.75 -43.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -58.14 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 961' ' ' ALA . 50.9 t -48.08 -56.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.18 -38.5 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 958' ' ' VAL . . . -64.82 -43.04 94.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.474 HD11 ' CD2' ' A' ' 932' ' ' LEU . 3.6 mm? -60.04 -46.5 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 963' ' ' ARG . 0.0 OUTLIER -59.73 -53.41 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 6.9 m -55.46 -34.92 64.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 2.0 tt -60.34 -41.54 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.05 -43.96 78.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -58.96 -66.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 76.2 p -40.51 -43.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 58.6 t -53.62 -48.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 967' ' ' ALA . 28.1 t70 -48.62 -37.07 17.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.441 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 8.1 mt-10 -79.12 -24.46 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.453 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.1 OUTLIER -86.28 -17.35 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -53.79 -53.68 54.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.5 Cg_endo -74.92 -33.76 4.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 42.5 t -48.95 -26.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' 1043 ' ' ARG . 0.3 OUTLIER -107.69 155.47 39.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.7 5.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.61 108.57 10.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.82 -34.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.623 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 5.1 t -111.37 53.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -83.03 -92.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 985' ' ' GLU . 27.0 ttm180 -43.93 -54.7 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -40.15 -48.24 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.476 ' CD1' ' CG1' ' A' 1039 ' ' ILE . 0.4 OUTLIER -63.78 -44.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -62.58 -38.55 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 5.7 mtp -71.43 -23.69 61.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -79.64 -20.82 45.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -75.88 -46.86 27.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -41.72 83.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 962' ' ' LEU . 1.5 tt -62.59 -54.01 46.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -61.6 -35.51 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -66.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.469 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.4 OUTLIER -52.6 -34.98 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.5 OUTLIER -54.99 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.18 -53.11 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.55 -35.12 73.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 995' ' ' LEU . 7.5 tt -69.82 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.478 HD13 ' CG1' ' A' ' 955' ' ' VAL . 19.3 mm -60.68 -54.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.1 t30 -52.71 -26.65 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' 1003 ' ' LYS . 0.0 OUTLIER -50.16 -23.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' 1002 ' ' MET . 3.1 mtpt -70.79 -52.36 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.03 -41.42 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -44.31 -44.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 32.6 mm-40 -47.2 -33.44 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -37.46 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.593 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 55.3 m-85 -87.22 40.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' 1011 ' ' THR . 2.6 p -129.1 -44.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.524 ' O ' ' CB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -63.02 71.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER 164.77 -56.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.8 OUTLIER 155.63 -23.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.3 OUTLIER -39.89 -29.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' 1012 ' ' SER . 33.5 tt0 -37.49 -58.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -36.83 -40.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.8 OUTLIER -66.88 -68.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.593 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 3.9 m-85 -55.01 -24.4 24.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.445 ' O ' ' NZ ' ' A' 1018 ' ' LYS . 0.2 OUTLIER -59.9 -50.78 72.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1019 ' ' LYS . . . . . 0.425 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -58.48 -36.55 73.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -62.18 -55.32 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -41.17 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.32 -44.19 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 25.2 m -47.96 -49.77 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.14 83.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -53.85 -34.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 4.8 t60 -69.28 -55.86 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.18 -34.68 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 9.4 mt -56.08 -66.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.18 -40.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.2 t -72.89 -52.0 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -42.21 -58.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.99 -35.46 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.4 OUTLIER -67.1 -60.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -41.61 -31.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 987' ' ' ALA . 6.1 tt -61.75 -70.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.673 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.6 -39.86 81.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.03 -56.01 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 80.2 t -57.38 -37.93 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.492 HG22 ' CD1' ' A' ' 976' ' ' LEU . 4.0 mt -64.06 -42.67 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.65 -38.92 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 14.0 mt-30 -74.5 -26.08 59.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.623 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.31 -43.38 19.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.552 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 3.3 ttm180 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.493 ' HA ' ' CG1' ' A' 1047 ' ' ILE . 4.1 pp -62.61 -38.26 89.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.435 ' N ' HD13 ' A' 1044 ' ' LEU . 0.3 OUTLIER -47.93 -24.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.2 OUTLIER -85.98 -29.9 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1047 ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.7 mm -43.03 -53.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 2.1 m -115.06 79.04 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.92 63.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.95 118.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 134.35 95.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 5.5 p80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.614 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.504 0.192 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.29 60.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -84.92 55.49 3.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.01 111.35 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -55.21 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -61.36 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 24.4 m -55.82 -45.67 78.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -57.11 -36.61 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -37.25 60.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -53.99 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 972' ' ' SER . 91.5 t -49.13 -61.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 5.3 m-85 -52.52 -30.95 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.56 -47.66 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 932' ' ' LEU . 0.9 OUTLIER -59.02 -58.44 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 933' ' ' VAL . 3.1 t -42.27 -53.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.5 p -61.08 -55.75 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -55.24 -25.58 40.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -81.66 -63.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 929' ' ' VAL . 6.1 m -57.68 -31.01 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.3 mmmt -63.07 -46.44 87.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -72.47 -45.25 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.452 ' CG2' HD11 ' A' ' 932' ' ' LEU . 3.5 t -40.56 -49.95 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 938' ' ' GLU . 66.9 mt -73.86 -62.74 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -34.03 -45.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.9 ttp -44.59 -69.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.548 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 7.9 p -41.75 -37.27 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.6 t -60.83 -43.72 97.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -112.89 30.12 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.598 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.97 -50.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.6 OUTLIER -43.76 -53.61 12.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.02 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.36 127.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.455 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.04 177.02 9.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -74.97 -16.34 20.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.18 -22.08 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.433 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -104.19 -3.95 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.598 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.7 t80 -93.0 -42.28 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -49.53 -47.08 78.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -33.99 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 999' ' ' ILE . 2.2 t -51.84 -52.02 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -38.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.4 OUTLIER -60.45 -54.6 43.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 14.2 t -40.07 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.93 93.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -54.9 -45.8 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -53.15 -47.66 68.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -55.88 -54.22 47.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -52.94 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 968' ' ' THR . 2.0 m -64.88 -33.74 76.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.4 OUTLIER -57.28 -46.64 82.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.49 -52.46 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.52 33.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 964' ' ' THR . 62.6 p -54.35 -35.9 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 45.9 t -63.16 -44.04 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t70 -49.56 -40.27 37.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.496 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 28.3 mt-10 -78.01 -22.36 49.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 32.6 t -85.66 -24.34 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.588 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -47.61 -52.62 36.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 972' ' ' SER . 7.0 t -47.11 -28.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.9 mm? -107.45 149.51 38.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 978' ' ' ALA . 18.4 Cg_endo -74.97 67.85 5.83 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . 36.13 -151.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -57.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.481 HG22 ' CB ' ' A' 1042 ' ' ALA . 1.4 t -76.19 -5.87 48.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.588 ' CD2' HD22 ' A' ' 973' ' ' LEU . 23.5 m170 -50.12 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.22 -68.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 987' ' ' ALA . 21.5 mt-10 -55.5 -39.9 71.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 980' ' ' THR . 9.9 mt -58.31 -45.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.56 -24.43 56.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -73.08 -29.37 62.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -73.63 -44.55 56.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -31.43 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 53.5 tp -42.47 -48.57 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 995' ' ' LEU . 0.5 OUTLIER -61.62 -62.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.82 -54.36 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' 1028 ' ' LEU . 1.1 m-20 -63.17 -29.85 71.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 962' ' ' LEU . 1.1 tp -68.63 -57.95 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.45 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.03 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 995' ' ' LEU . 8.3 tt -72.5 -42.22 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.468 ' CG1' HD12 ' A' ' 995' ' ' LEU . 4.6 mm -55.51 -46.84 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' 1001 ' ' LYS . 66.1 t30 -59.69 -54.6 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' 1000 ' ' ASN . 16.7 mmtt -39.82 -33.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 2.4 ttp -79.9 -54.48 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -25.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' 1002 ' ' MET . 14.8 mt -86.47 -54.53 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -45.05 -40.51 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.439 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 3.8 tp-100 -46.83 -42.33 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -98.77 -24.74 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.622 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 10.0 m-85 -91.54 30.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.412 HG23 ' NE2' ' A' 1014 ' ' GLN . 11.3 p -118.97 -52.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.426 ' CE ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -54.06 -40.99 67.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.929 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER -50.84 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.4 p 157.14 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.07 56.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' 1016 ' ' GLU . 2.4 tp-100 -86.36 -76.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -39.87 -29.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -72.15 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 4.6 m-85 -66.86 -14.85 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -44.43 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.59 -33.67 76.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.18 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.2 ptm -56.8 -24.6 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' 1021 ' ' MET . 3.1 tm? -71.17 -52.98 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -43.08 -44.76 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.24 60.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.95 -29.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.91 -59.97 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.65 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.81 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' A' ' 994' ' ' ASP . 0.6 OUTLIER -59.03 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -41.39 -42.52 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 14.6 t -69.83 -44.14 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 1028 ' ' LEU . 39.6 t0 -45.71 -55.85 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.36 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 3.1 tttt -66.79 -43.94 82.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -54.19 -40.08 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.35 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.61 -39.51 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -41.17 -48.6 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 41.9 t -64.98 -39.39 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' 1036 ' ' LEU . 8.5 mt -59.68 -50.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 10.5 t0 -46.03 -43.66 14.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' 1044 ' ' LEU . 15.8 tt0 -61.95 -33.56 74.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.481 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -79.24 -29.3 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.82 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' 1044 ' ' LEU . 0.0 OUTLIER -57.3 -27.62 62.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.443 ' N ' HD21 ' A' 1044 ' ' LEU . 0.7 OUTLIER -51.79 -22.04 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 13.3 ttp -78.77 -46.13 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.82 -51.43 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 17.5 p -72.57 58.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.74 -61.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 33.6 t -165.03 93.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1051 ' ' ARG . . . . . 0.539 ' N ' ' CD ' ' A' 1052 ' ' PRO . 0.0 OUTLIER -65.65 -49.69 59.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1052 ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' 1051 ' ' ARG . 18.3 Cg_endo -75.0 121.61 6.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.537 0.208 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -61.39 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -85.55 53.49 2.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.83 105.62 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.88 174.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.21 58.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.4 m -88.05 36.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.01 -40.32 53.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -22.95 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -63.21 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.24 -38.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.517 ' CD2' HD23 ' A' 1036 ' ' LEU . 3.5 m-85 -70.85 -18.82 62.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.4 OUTLIER -75.03 -69.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -41.49 -45.63 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 54.5 t -52.45 -57.24 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 931' ' ' GLY . 1.3 p -67.64 -60.78 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -36.69 -48.83 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -71.74 -50.12 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . . . . . . . . . 1.5 t -50.94 -41.27 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 23.7 mttt -61.54 -48.32 81.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -59.65 -48.25 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 932' ' ' LEU . 2.4 t -38.51 -47.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.6 mp -84.02 -62.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -33.09 -49.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 943' ' ' ILE . 2.9 ttp -44.6 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.536 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -38.68 -36.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.2 m -61.0 -50.44 73.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -106.92 28.71 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.53 -51.86 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.7 mt-30 -46.04 -51.47 31.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.99 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.46 130.51 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.422 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.01 176.17 10.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.98 -13.8 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.24 -23.01 22.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -103.92 -4.85 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.599 ' CD1' HD11 ' A' ' 943' ' ' ILE . 10.1 t80 -94.12 -41.14 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.599 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -50.72 -46.93 86.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.1 Cg_endo -75.02 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -34.95 -66.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' 1002 ' ' MET . 0.9 OUTLIER -54.87 -52.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -30.77 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.61 69.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.03 -46.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.98 94.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -57.36 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.72 -47.56 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 991' ' ' LEU . 0.3 OUTLIER -57.32 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -55.0 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 17.7 m -62.02 -42.58 99.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -48.04 47.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 2.7 mp -52.02 -60.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.23 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 28.2 m -52.38 -40.15 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 16.7 t -63.69 -35.75 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.407 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.2 t70 -52.32 -40.41 61.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.5 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 11.6 mt-10 -71.8 -20.71 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.19 -30.68 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.511 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -39.77 -51.6 5.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.21 3.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 972' ' ' SER . 36.0 t -47.25 -27.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.4 mm? -109.87 158.78 33.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -164.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.25 174.99 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 21.94 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.582 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 0.2 OUTLIER -114.89 -56.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.537 ' CD2' ' N ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -48.52 -23.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.582 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 980' ' ' THR . 0.2 OUTLIER -68.34 -79.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.23 -21.15 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.481 HD12 ' CG1' ' A' 1039 ' ' ILE . 2.4 mt -73.34 -38.34 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.5 OUTLIER -62.89 -41.19 99.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.5 -26.47 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -81.32 -24.83 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.76 -44.12 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -37.62 87.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -49.01 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 962' ' ' LEU . 11.8 tp -54.82 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -49.81 -42.25 46.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.16 -69.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.5 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 1.2 m-20 -52.69 -36.11 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 999' ' ' ILE . 0.2 OUTLIER -54.44 -59.21 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -47.87 -50.6 25.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -59.71 -30.31 68.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.419 ' CD1' HD12 ' A' ' 999' ' ' ILE . 0.1 OUTLIER -73.61 -47.46 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.476 ' CG1' HD13 ' A' ' 995' ' ' LEU . 48.7 mm -49.51 -49.19 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -66.12 -36.74 83.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.79 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.479 ' HB2' ' CG2' ' A' ' 955' ' ' VAL . 1.6 ttp -81.13 -38.86 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.62 -53.72 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' 1017 ' ' TYR . 4.6 pp -64.44 -35.87 82.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -71.77 -6.65 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -17.31 17.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -38.41 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.793 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.1 m-85 -72.05 -17.87 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' 1010 ' ' MET . 2.2 p -40.15 -67.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.461 ' CE ' ' N ' ' A' 1011 ' ' THR . 0.4 OUTLIER -43.62 -59.48 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 111.052 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.58 ' O ' ' CB ' ' A' 1012 ' ' SER . 90.1 m -36.66 -79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.3 m 152.72 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.9 OUTLIER -61.78 -12.16 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' 1013 ' ' LEU . 17.7 tt0 -34.68 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -41.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' 1013 ' ' LEU . 7.9 tt0 -64.52 -51.42 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 25.7 m-85 -68.92 -27.16 65.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1014 ' ' GLN . 20.7 mmtm -65.37 -43.55 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.61 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -51.01 -51.98 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 2.3 tmm? -47.82 -57.11 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -41.87 -49.41 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -46.29 -51.51 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.26 96.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -50.25 -35.01 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.59 -55.86 17.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.611 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.41 81.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.5 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 8.8 mt -56.08 -67.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.95 -43.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' 1033 ' ' LYS . 39.0 t -69.23 -49.43 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' 1028 ' ' LEU . 67.2 m-20 -43.88 -64.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.85 -25.5 29.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.1 OUTLIER -72.26 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -40.07 -31.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' 1033 ' ' LYS . 3.2 tp -61.97 -70.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.74 -38.81 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.42 -43.08 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 24.6 t -71.16 -33.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' 1036 ' ' LEU . 25.9 mt -63.28 -48.94 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -45.04 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.476 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 6.1 mt-30 -73.83 -20.74 60.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.234 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.582 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.36 -55.17 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -45.04 -42.71 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.4 pp -72.06 -33.04 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' 1042 ' ' ALA . 5.7 tmtm? -50.71 -21.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 26.3 ttp -91.51 -26.14 18.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1047 ' ' ILE . . . . . 0.476 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.6 mm -43.69 -55.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 1.1 t -82.81 86.0 6.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -174.88 -54.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.56 -59.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.19 113.75 7.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -89.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 8.2 m170 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 44.5 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.541 0.21 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.34 59.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -83.32 163.9 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.0 mp -123.93 53.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.36 -39.29 15.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 65.33 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 4.3 m -74.05 61.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -84.33 -33.26 23.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -38.12 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 1.7 tptp -60.04 -46.91 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.491 ' HA ' ' CG2' ' A' ' 968' ' ' THR . 4.2 t -63.82 -41.04 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.561 ' CD1' HD22 ' A' 1036 ' ' LEU . 4.5 m-30 -70.37 -15.43 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 930' ' ' THR . 9.4 mm-40 -82.46 -66.61 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 924' ' ' LYS . 9.1 m120 -40.67 -41.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.78 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.509 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.7 p -47.79 -48.83 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -59.62 -23.92 59.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -79.82 -58.05 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' 1032 ' ' ALA . 15.7 m -65.49 -27.74 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -67.18 -38.57 85.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -74.54 -55.15 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' 1028 ' ' LEU . 0.4 OUTLIER -39.34 -35.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 938' ' ' GLU . 20.6 mt -85.02 -66.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -32.69 -54.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 8.7 ttm -41.21 -65.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.534 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 18.8 p -39.98 -38.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -60.53 -46.7 89.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -109.39 28.85 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.59 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -94.93 -52.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.24 -54.45 5.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.97 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -30.75 129.66 0.26 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.08 -13.98 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.64 -30.36 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.471 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -93.52 -5.79 48.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.9 -43.86 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.15 -47.94 55.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.06 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -34.17 -51.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 951' ' ' TYR . 18.6 t -66.67 -47.27 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -45.82 -39.77 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 960' ' ' LEU . 7.0 tt0 -59.74 -61.54 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 83.1 t -41.68 -34.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.9 83.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -55.36 -40.95 71.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -57.29 -41.43 79.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 -51.64 69.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -58.51 5.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 55.5 m -60.09 -46.07 90.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 1.2 tm? -47.47 -46.8 27.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -64.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.09 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.491 ' CG2' ' HA ' ' A' ' 925' ' ' VAL . 1.8 m -51.17 -37.03 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 61.4 t -65.26 -40.71 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.481 ' HA ' ' CD1' ' A' ' 973' ' ' LEU . 4.2 t70 -51.64 -32.52 29.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.485 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.5 mt-10 -73.39 -23.09 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.486 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.0 OUTLIER -85.53 -28.86 24.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -40.44 -51.58 6.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.486 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 51.4 t -53.56 -34.54 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.2 mm? -109.03 157.39 37.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.415 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.3 Cg_endo -74.97 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.449 ' O ' ' NZ ' ' A' 1045 ' ' LYS . . . -69.63 166.01 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 76.97 31.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.633 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -116.85 -60.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 985' ' ' GLU . 1.6 p80 -44.88 -49.03 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -48.55 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.414 ' CB ' HG12 ' A' 1038 ' ' VAL . 7.4 mt-10 -51.69 -43.81 62.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 980' ' ' THR . 84.3 mt -57.52 -32.88 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -64.85 -41.67 95.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.0 mtm -71.99 -18.44 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.94 -24.12 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -74.84 -40.31 61.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -37.21 67.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -41.57 77.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.443 ' CD1' HD22 ' A' 1028 ' ' LEU . 8.8 tp -66.71 -60.11 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.12 -48.52 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 3.3 t -47.09 -71.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.474 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 5.7 m-20 -50.96 -36.64 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.3 OUTLIER -55.11 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.03 -51.47 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.62 -43.06 84.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.94 -44.85 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.41 HD13 ' CG1' ' A' ' 955' ' ' VAL . 33.1 mm -52.14 -45.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' 1001 ' ' LYS . 11.3 t-20 -71.26 -46.48 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' 1000 ' ' ASN . 14.3 mmtp -39.02 -36.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' 1002 ' ' MET . 13.4 tmm? -75.93 -55.52 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -49.6 -30.42 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' 1007 ' ' GLN . 21.7 mt -82.66 -61.81 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.456 ' O ' ' CG1' ' A' 1009 ' ' VAL . . . -44.65 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.414 ' HG2' ' CB ' ' A' ' 948' ' ' PRO . 0.1 OUTLIER -52.12 -36.38 51.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1007 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1004 ' ' LEU . 6.3 tt0 -97.78 -31.64 12.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.637 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 50.8 m-85 -88.46 30.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' 1005 ' ' ALA . 7.5 p -121.01 -49.27 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.485 ' CE ' HG22 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.84 51.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.485 HG22 ' CE ' ' A' 1010 ' ' MET . 1.1 p -145.86 -66.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 5.1 p 167.87 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.402 HD12 ' CD1' ' A' 1017 ' ' TYR . 0.8 OUTLIER -81.62 51.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.63 -65.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -47.64 -24.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -68.23 -59.74 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -74.22 -30.66 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.75 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -48.68 78.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -43.07 -53.64 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -44.72 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 940' ' ' SER . 2.4 tm? -56.14 -47.82 77.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.7 m -42.61 -54.71 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.4 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.8 93.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.39 -37.67 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -57.06 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.16 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 7.6 mt -56.21 -65.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -39.5 -40.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 14.9 t -71.81 -52.08 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -43.38 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.464 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.17 -32.99 62.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -66.42 -50.44 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.66 -23.28 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.26 -68.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.39 -40.54 96.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.6 -51.32 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.414 HG12 ' CB ' ' A' ' 983' ' ' GLU . 11.1 t -62.3 -38.53 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' 1036 ' ' LEU . 12.2 mt -64.35 -41.71 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -39.14 62.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 1.9 mt-30 -77.85 -18.54 56.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.633 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -84.36 -44.7 13.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -56.99 -39.81 75.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.5 pp -74.25 -32.0 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -50.16 -21.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' 1044 ' ' LEU . 21.0 ttp -91.09 -25.66 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1047 ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.5 mm -45.14 -80.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 68.41 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.21 75.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 2.1 m -159.53 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.79 117.35 31.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 48.3 m80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.589 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.53 0.205 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -67.66 169.91 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.46 108.86 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 2.9 mp -125.04 112.37 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -88.29 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 4.6 m -86.19 -42.86 13.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -63.86 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -42.67 58.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 0.5 OUTLIER -41.02 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 972' ' ' SER . 65.1 t -48.76 -62.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.712 ' CE1' ' CD2' ' A' 1036 ' ' LEU . 0.2 OUTLIER -38.87 -62.59 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 928' ' ' ASN . 2.1 mm-40 -42.57 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 927' ' ' GLU . 14.1 m120 -39.58 -65.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 928' ' ' ASN . 84.7 t -39.93 -59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 2.0 m -55.34 -61.8 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 932' ' ' LEU . . . -43.88 -73.96 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -37.8 -39.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' 1032 ' ' ALA . 1.0 OUTLIER -69.98 -56.3 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 931' ' ' GLY . 0.2 OUTLIER -52.32 -21.45 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -85.12 -49.61 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.419 HG22 ' CB ' ' A' 1028 ' ' LEU . 0.3 OUTLIER -39.77 -38.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.7 mt -83.91 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.88 -47.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 943' ' ' ILE . 28.3 ttm -49.14 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.533 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 4.9 m -41.57 -36.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.93 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -111.17 28.1 9.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.602 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -95.06 -49.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.23 -53.08 24.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -35.39 124.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 176.84 9.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.451 ' O ' ' NE2' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.99 -14.36 21.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 -14.78 36.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.501 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 3.7 tt0 -114.66 -9.53 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.602 ' CE1' HD11 ' A' ' 943' ' ' ILE . 8.7 t80 -89.62 -37.7 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.582 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -48.83 -48.02 71.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -29.06 -65.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.578 HG22 ' CE1' ' A' ' 951' ' ' TYR . 2.5 t -58.86 -47.96 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.56 -39.65 35.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -41.03 87.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.434 HG12 ' CD1' ' A' ' 995' ' ' LEU . 97.8 t -57.89 -36.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.75 -44.96 91.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -42.27 91.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.38 95.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.466 ' O ' ' CD1' ' A' ' 966' ' ' LEU . 0.0 OUTLIER -61.95 -46.98 86.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . 0.441 ' N ' HD23 ' A' ' 962' ' ' LEU . 3.3 mtt180 -50.8 -51.44 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.9 m -64.97 -35.06 79.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.9 OUTLIER -56.51 -38.56 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 6.8 mp -62.29 -50.48 71.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.87 -57.58 12.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 56.6 p -51.39 -39.96 58.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 15.8 t -56.35 -46.57 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -49.83 -41.34 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.481 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 2.5 tt0 -73.69 -22.08 60.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.23 -24.01 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.499 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -46.34 -53.01 25.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -31.79 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 972' ' ' SER . 11.1 t -47.12 -32.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.0 OUTLIER -110.12 154.31 42.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.455 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.5 Cg_endo -74.95 155.26 43.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -57.18 107.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.46 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.599 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 3.4 t -110.83 10.2 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -52.74 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -44.35 -58.7 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 987' ' ' ALA . 1.1 mt-10 -49.88 -47.19 52.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 980' ' ' THR . 4.3 mt -51.8 -50.59 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -44.05 87.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -26.58 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -70.78 -26.69 63.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -74.56 -48.91 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.97 -34.65 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -56.39 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 54.4 tp -51.09 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -43.47 -53.05 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.527 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 2.4 m-20 -50.24 -40.96 49.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.3 OUTLIER -54.27 -60.82 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.83 -53.36 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.69 -44.26 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' 1028 ' ' LEU . 1.9 tt -63.85 -43.99 94.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.458 HD13 ' CG1' ' A' ' 955' ' ' VAL . 14.2 mm -57.33 -48.15 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.44 -46.59 79.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -45.78 -45.02 14.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 4.9 ttp -64.3 -43.42 94.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.02 -27.73 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 43.9 mt -81.42 -58.78 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -40.84 -43.45 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 948' ' ' PRO . 1.1 tp60 -41.91 -43.51 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -34.14 10.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' 1017 ' ' TYR . 37.8 m-85 -87.72 39.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' 1014 ' ' GLN . 2.6 p -112.4 -45.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.525 ' C ' ' CE ' ' A' 1010 ' ' MET . 0.0 OUTLIER -86.98 57.98 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' 1013 ' ' LEU . 1.2 p -155.07 20.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1014 ' ' GLN . 0.9 OUTLIER 73.34 -54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -38.66 -26.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' 1012 ' ' SER . 0.4 OUTLIER -30.88 -69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.1 OUTLIER -36.62 -49.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' 1013 ' ' LEU . 6.9 tp10 -65.39 -59.24 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.705 ' CZ ' ' CG ' ' A' 1008 ' ' TYR . 0.4 OUTLIER -45.59 -37.29 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.48 ' CD ' ' HG2' ' A' 1014 ' ' GLN . 0.6 OUTLIER -59.72 -45.41 92.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 -40.83 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -53.75 -58.21 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -47.49 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' 1022 ' ' LEU . 1.9 tm? -52.77 -53.55 46.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.5 m -39.4 -51.95 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.69 76.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.85 -37.34 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -56.73 15.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.527 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 11.6 mt -58.59 -66.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.29 -38.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.7 t -76.82 -49.73 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1028 ' ' LEU . 35.8 t0 -44.61 -58.92 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 933' ' ' VAL . . . -58.38 -33.35 69.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' 1037 ' ' ASP . 0.0 OUTLIER -66.26 -57.36 7.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 12.4 t30 -46.88 -30.81 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.466 ' O ' ' CG1' ' A' 1038 ' ' VAL . 5.4 tt -59.25 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.712 ' CD2' ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -66.78 -35.4 79.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1037 ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' 1033 ' ' LYS . 30.5 t0 -47.78 -56.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.51 HG11 ' N ' ' A' 1039 ' ' ILE . 11.0 p -58.52 -32.12 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.51 ' N ' HG11 ' A' 1038 ' ' VAL . 6.9 mt -67.14 -45.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 7.5 t0 -48.62 -39.27 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.501 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 6.5 mt-30 -72.82 -26.89 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.44 -45.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -50.99 -47.56 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 4.3 pp -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.436 ' N ' HD13 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.55 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.5 OUTLIER -80.54 -55.47 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp -44.47 -52.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 3.1 m -82.43 66.96 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -165.06 174.18 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.2 m -78.84 80.16 5.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -63.12 111.7 5.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -175.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.516 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 919' ' ' ASP . . . -72.16 147.54 46.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -46.09 -43.93 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.4 mp -118.21 55.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 916' ' ' ALA . 0.8 OUTLIER -109.81 -56.89 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 923' ' ' ASP . 1.1 tpm_? -87.97 67.48 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -35.5 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 0.4 OUTLIER -61.27 -24.07 66.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 924' ' ' LYS . 0.0 OUTLIER -75.53 -32.08 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 923' ' ' ASP . 2.3 ttmt -60.77 -58.15 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 929' ' ' VAL . 86.4 t -58.63 -41.11 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.619 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 3.2 m-85 -68.26 -19.77 64.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.7 OUTLIER -76.11 -68.19 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -44.13 -38.46 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 925' ' ' VAL . 78.1 t -58.07 -54.39 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' GLY . 4.9 p -73.62 -59.67 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.64 -49.01 0.99 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -71.52 -50.35 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -52.14 -35.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 0.1 OUTLIER -61.56 -47.73 84.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -65.05 -44.68 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 935' ' ' ALA . 14.4 t -39.9 -45.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 938' ' ' GLU . 1.7 mp -84.46 -63.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.4 -43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 942' ' ' LYS . 1.4 ttp -49.0 -71.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.538 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.9 t -40.04 -31.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.946 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.59 71.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -104.38 23.44 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.583 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.47 -51.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.31 -54.54 5.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.98 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.01 127.95 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.464 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -75.0 177.18 8.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.503 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.98 -20.15 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.81 -17.73 40.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.466 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -109.94 -2.87 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.583 ' CE1' HD13 ' A' ' 943' ' ' ILE . 6.5 t80 -92.31 -36.17 13.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.58 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -52.49 -47.36 93.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.505 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -30.71 -53.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.506 ' CG1' ' CD1' ' A' ' 999' ' ' ILE . 51.3 t -65.76 -52.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 953' ' ' PRO . 1.5 mmtt -40.14 -37.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -60.08 3.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.31 -42.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -56.6 -48.04 79.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -43.99 74.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.07 81.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 995' ' ' LEU . 1.6 mt -60.69 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.93 -55.72 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 -35.76 73.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.7 -53.92 45.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 8.2 mp -46.64 -55.61 7.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.8 87.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 925' ' ' VAL . 90.1 m -52.23 -47.1 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 973' ' ' LEU . 86.8 t -60.11 -38.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.414 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 9.0 t70 -50.08 -37.4 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.505 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.1 mt-10 -77.22 -23.29 51.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.76 -28.56 24.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.07 -50.92 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.94 -36.19 2.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 15.1 t -47.37 -30.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.3 mm? -109.08 159.86 29.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 979' ' ' SER . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -66.28 73.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 977' ' ' PRO . 19.3 t -147.6 -43.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.068 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.673 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 1.4 t -91.32 -7.37 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -54.01 -57.75 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.634 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.08 -66.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.34 -40.25 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' ' 980' ' ' THR . 14.0 mt -55.18 -49.06 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -23.0 61.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.62 69.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -62.18 -54.49 40.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -57.66 -26.62 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -53.65 35.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 11.2 tp -57.42 -50.63 72.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 993' ' ' SER . 0.9 OUTLIER -49.29 -59.52 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 993' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 992' ' ' ASN . 44.6 t -38.73 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.465 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 12.7 t0 -53.59 -40.62 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -50.02 -56.29 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.8 -40.99 70.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.47 -40.3 96.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.497 ' CD1' ' CD1' ' A' 1028 ' ' LEU . 3.2 tt -68.82 -35.96 77.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.506 ' CD1' ' CG1' ' A' ' 955' ' ' VAL . 32.6 mm -65.62 -43.1 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.516 ' O ' ' CD2' ' A' 1004 ' ' LEU . 35.0 t30 -68.13 -46.41 70.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -35.31 8.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -81.38 -26.06 35.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' 1002 ' ' MET . 8.3 mtmt -64.2 -50.13 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' 1000 ' ' ASN . 0.1 OUTLIER -66.0 -56.15 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' 1009 ' ' VAL . . . -42.15 -46.04 4.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 0.3 OUTLIER -40.81 -43.81 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -97.23 -29.33 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.763 ' CG ' ' CE2' ' A' 1017 ' ' TYR . 33.4 m-85 -89.63 26.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' 1014 ' ' GLN . 12.9 p -118.46 -51.18 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.447 ' HE3' ' CG2' ' A' 1011 ' ' THR . 0.0 OUTLIER -73.99 52.62 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.447 ' CG2' ' HE3' ' A' 1010 ' ' MET . 0.7 OUTLIER -144.9 -70.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' 1008 ' ' TYR . 0.2 OUTLIER -80.99 50.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.9 OUTLIER -85.16 -70.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -37.06 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.3 tp10 -72.18 -66.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.763 ' CE2' ' CG ' ' A' 1008 ' ' TYR . 4.6 m-85 -59.14 -21.52 59.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' 1018 ' ' LYS . 0.7 OUTLIER -71.64 -40.83 69.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -60.04 -60.34 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' 1022 ' ' LEU . 5.4 ptm -53.89 -24.09 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -73.81 -49.61 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 14.5 m -42.81 -51.72 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.29 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.38 -36.23 53.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -55.59 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.12 75.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.497 ' CD1' ' CD1' ' A' ' 998' ' ' LEU . 9.4 mt -58.67 -65.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 933' ' ' VAL . . . -39.62 -40.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.4 t -73.8 -49.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.89 -58.95 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.52 65.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -65.38 -62.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -40.42 -39.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.94 -67.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.619 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -64.39 -42.21 96.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1037 ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' 1036 ' ' LEU . 2.5 t70 -39.87 -52.5 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 65.4 t -61.07 -41.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' 1036 ' ' LEU . 10.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' 1044 ' ' LEU . 0.0 OUTLIER -73.48 -20.05 60.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.673 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -90.41 -39.08 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -51.42 -55.27 19.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.59 ' CD1' ' O ' ' A' 1041 ' ' GLN . 0.0 OUTLIER -66.64 -34.28 77.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.483 ' N ' ' CD1' ' A' 1044 ' ' LEU . 6.6 tmtm? -48.77 -27.01 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.8 ttm -81.88 -27.93 33.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1047 ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' 1044 ' ' LEU . 7.7 mm -59.31 -62.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.22 76.46 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -177.83 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 21.3 t -169.31 106.22 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.97 148.45 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.548 0.214 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.89 100.92 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.9 65.56 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.71 51.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -104.96 41.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -65.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 63.4 m -86.93 -24.54 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 1.6 t-20 -69.15 -12.92 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.24 -45.49 39.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -53.36 58.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.435 ' O ' ' CG2' ' A' ' 929' ' ' VAL . 12.0 t -56.71 -47.14 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.4 m-85 -64.68 -28.8 69.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.36 -68.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -43.67 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.446 HG21 ' CD2' ' A' ' 965' ' ' LEU . 74.4 t -41.99 -59.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.7 p -66.72 -64.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.42 -47.57 0.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.32 -51.67 34.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -54.82 -29.78 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.05 -49.09 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.48 95.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . . . . . . . . . 41.1 t -40.24 -48.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 938' ' ' GLU . 1.4 mp -84.35 -61.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.4 OUTLIER -36.15 -49.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 29.4 ttm -47.66 -63.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.548 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 89.2 p -43.77 -33.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -40.19 93.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.8 OUTLIER -112.96 25.42 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.561 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.63 -48.57 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.15 -54.42 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -74.99 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -31.66 128.56 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.476 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.02 -15.83 20.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.64 -24.53 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.465 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -99.93 -5.23 28.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.561 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -92.81 -40.39 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -49.9 -46.83 81.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -75.01 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.511 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -33.41 -51.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.486 ' CG1' ' CD1' ' A' ' 999' ' ' ILE . 54.6 t -66.55 -50.04 70.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -45.2 -32.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -42.72 70.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.4 OUTLIER -55.0 -46.81 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.444 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -54.77 -45.69 78.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.74 90.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.504 ' O ' ' CD2' ' A' ' 962' ' ' LEU . 0.0 OUTLIER -65.52 -38.57 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 959' ' ' GLY . 0.1 OUTLIER -61.32 -56.3 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' THR . . . . . 0.459 HG23 ' CG2' ' A' ' 968' ' ' THR . 3.6 m -56.41 -34.68 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.502 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 2.1 tm? -51.28 -47.81 62.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 4.2 mt -57.7 -50.79 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -57.9 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.459 ' CG2' HG23 ' A' ' 964' ' ' THR . 62.8 p -40.6 -46.09 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 69.1 t -53.18 -46.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 973' ' ' LEU . 33.4 t0 -51.62 -28.82 15.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.486 ' O ' ' CG2' ' A' ' 975' ' ' VAL . 3.7 tt0 -75.17 -23.78 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 969' ' ' VAL . 0.0 OUTLIER -86.09 -21.26 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -48.07 -53.31 34.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 971' ' ' GLU . 48.0 t -59.63 -29.55 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.498 HD11 ' CB ' ' A' 1042 ' ' ALA . 0.9 OUTLIER -105.97 158.36 32.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.764 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.68 168.27 19.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.05 34.08 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' 1042 ' ' ALA . 0.8 OUTLIER -113.93 -55.89 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.696 ' O ' ' N ' ' A' ' 985' ' ' GLU . 1.8 p80 -48.15 -62.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -33.1 -71.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.437 ' CB ' HG11 ' A' 1038 ' ' VAL . 16.9 mt-10 -61.18 -45.94 92.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 980' ' ' THR . 45.3 mt -53.89 -39.61 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.696 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.8 OUTLIER -58.36 -48.7 79.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.8 mtm -65.03 -17.82 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' 1035 ' ' LEU . . . -84.73 -29.17 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -75.7 -45.12 38.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -44.51 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.44 ' CD2' HD11 ' A' ' 965' ' ' LEU . 14.3 tp -64.26 -63.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -46.16 -40.45 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 43.8 t -54.62 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.466 ' CB ' ' CD2' ' A' 1028 ' ' LEU . 2.2 m-20 -45.48 -35.58 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' 1028 ' ' LEU . 0.2 OUTLIER -61.81 -67.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.75 -53.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -56.08 -48.33 76.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' 1002 ' ' MET . 2.3 tm? -61.91 -44.6 96.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.486 ' CD1' ' CG1' ' A' ' 955' ' ' VAL . 19.8 mm -58.26 -41.27 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.43 -48.04 44.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' 1004 ' ' LEU . 1.8 tptt -60.39 -61.92 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.47 ' CG ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -46.16 -31.82 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.0 OUTLIER -64.61 -37.8 88.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' 1001 ' ' LYS . 5.6 mt -80.16 -37.33 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -45.99 -39.17 8.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -51.48 -42.66 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -30.22 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.513 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.9 m-85 -87.71 39.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.412 ' C ' ' N ' ' A' 1011 ' ' THR . 7.1 p -127.4 -44.74 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -26.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' 1012 ' ' SER . 9.3 t -104.48 -163.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' 1011 ' ' THR . 7.4 p -79.24 -27.09 42.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -41.91 -28.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.438 ' N ' ' C ' ' A' 1012 ' ' SER . 0.6 OUTLIER -37.12 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -37.06 -33.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -65.71 -62.2 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.513 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 1.6 m-85 -58.91 -41.88 88.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -34.93 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1019 ' ' LYS . . . . . 0.427 ' HE2' ' CA ' ' A' 1019 ' ' LYS . 0.2 OUTLIER -78.62 -24.24 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.44 -59.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' 1022 ' ' LEU . 4.3 ppp? -55.6 -35.61 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.429 ' N ' ' SD ' ' A' 1021 ' ' MET . 2.5 tm? -58.8 -48.63 80.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 24.0 m -50.75 -44.5 58.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1024 ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' 1028 ' ' LEU . . . -66.27 -42.22 88.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -57.36 -34.32 68.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -69.43 -51.87 32.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.04 79.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.466 ' CD2' ' CB ' ' A' ' 994' ' ' ASP . 11.5 mt -59.13 -66.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.89 -40.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.2 t -74.43 -53.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -44.61 -55.13 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 1.185 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 933' ' ' VAL . . . -57.06 -34.51 68.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.3 tptt -70.14 -51.65 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.1 t30 -48.96 -34.82 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.444 ' CB ' ' HB1' ' A' ' 987' ' ' ALA . 3.4 tt -59.4 -68.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.551 HD22 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -48.15 -37.52 15.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.437 HG11 ' CB ' ' A' ' 983' ' ' GLU . 2.7 t -78.48 -25.72 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' 1036 ' ' LEU . 13.9 mt -69.85 -58.34 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.9 -53.68 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.471 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 19.1 pt20 -63.89 -29.18 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.498 ' CB ' HD11 ' A' ' 976' ' ' LEU . . . -70.46 -50.55 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.43 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 2.1 ttp-105 -44.81 -67.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 1.1 pp -41.79 -44.17 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' 1042 ' ' ALA . 0.2 OUTLIER -39.42 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.454 ' N ' ' C ' ' A' 1044 ' ' LEU . 10.5 ttp -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1047 ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' 1049 ' ' GLN . 1.9 mp -45.55 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.8 72.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1049 ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' 1047 ' ' ILE . 0.0 OUTLIER -174.29 42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.03 -50.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -100.9 108.55 54.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.68 3.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 915' ' ' MET . . . . . 0.4 ' N ' ' HE2' ' A' ' 915' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.192 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -91.12 92.42 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.01 -179.35 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.5 mp -124.5 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.16 -63.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.56 39.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.9 p -87.07 -87.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -64.71 -13.98 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.1 t0 -76.63 -33.07 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.17 57.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.53 -56.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.522 ' CZ ' HD23 ' A' 1036 ' ' LEU . 3.5 m-30 -59.43 -31.18 69.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 27.0 mm-40 -73.39 -52.22 14.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -50.62 -49.02 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 49.2 t -56.59 -60.08 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.3 p -49.93 -52.58 32.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -57.98 -30.32 63.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.32 -57.77 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 0.719 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.563 ' CG1' ' CB ' ' A' 1032 ' ' ALA . 27.0 m -64.77 -36.1 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 930' ' ' THR . 9.4 mmtt -57.69 -33.95 68.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -84.37 -46.68 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 935' ' ' ALA . 5.0 t -38.12 -41.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 938' ' ' GLU . 25.7 mt -83.77 -65.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -31.09 -45.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 942' ' ' LYS . 2.1 ttp -49.6 -70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 79.6 p -38.69 -34.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.4 m -64.93 -49.38 70.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.11 24.09 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.543 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.81 -51.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.491 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -43.13 -53.36 10.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -32.69 128.41 0.36 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.468 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.92 177.24 8.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.04 -20.34 16.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.78 56.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.435 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -117.35 -2.89 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.2 t80 -92.57 -41.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -49.89 -47.49 80.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.469 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -31.93 -54.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 999' ' ' ILE . 42.7 t -66.97 -50.11 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.8 OUTLIER -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -61.45 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -45.14 -44.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.417 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.5 -41.0 79.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -51.98 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -40.3 -59.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 991' ' ' LEU . 3.6 mm? -44.04 -55.65 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.61 -55.35 6.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 11.6 m -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.2 OUTLIER -53.63 -40.84 66.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 6.0 mp -58.17 -58.95 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.22 -57.92 7.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 77.0 p -49.72 -42.74 46.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 38.8 t -60.15 -41.2 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -49.14 -42.63 40.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.463 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 17.2 mt-10 -70.99 -23.39 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.491 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.19 -27.46 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -41.34 -53.83 6.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -34.37 3.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 25.2 t -46.47 -32.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.7 OUTLIER -110.02 154.21 42.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.466 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.2 Cg_endo -75.01 -165.24 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.797 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -65.53 161.31 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 m 87.81 16.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.554 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 2.1 p -116.54 -55.96 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 12.7 p80 -46.81 -21.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 980' ' ' THR . 12.4 tpp180 -83.21 -69.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.474 ' HB3' ' CG1' ' A' 1038 ' ' VAL . 0.2 OUTLIER -61.76 -41.16 97.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 4.9 mt -56.48 -55.77 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 3.8 tm-20 -52.76 -43.36 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -27.22 64.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -79.61 -15.67 57.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -84.75 -47.8 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 993' ' ' SER . 6.1 tmtt? -56.81 -43.83 81.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.475 ' CD1' HD23 ' A' 1028 ' ' LEU . 33.8 tp -51.94 -46.16 64.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.87 -38.5 88.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 993' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 989' ' ' LYS . 29.0 t -58.82 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.477 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.4 m-20 -53.21 -22.19 6.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -65.07 -59.97 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . 0.412 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -55.25 -53.71 52.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -24.54 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -71.85 -53.3 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.469 ' HA ' ' CG1' ' A' ' 955' ' ' VAL . 1.5 mp -49.04 -48.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 3.0 t-20 -62.57 -51.35 67.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 11.7 mmtt -39.81 -36.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 952' ' ' VAL . 9.8 tmm? -76.68 -57.67 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' 1002 ' ' MET . 4.0 mtpm? -42.51 -28.31 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' 1002 ' ' MET . 9.6 mt -83.66 -57.12 3.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -40.62 -31.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.485 ' O ' ' CG1' ' A' 1009 ' ' VAL . 2.1 mt-30 -56.54 -54.17 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.56 -7.4 57.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 20.0 m-85 -108.09 27.34 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' 1006 ' ' GLN . 5.3 p -119.13 -35.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.48 ' CE ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -81.48 16.29 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.48 ' HB ' ' CE ' ' A' 1010 ' ' MET . 4.7 t -134.11 9.12 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.2 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -14.03 36.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' 1018 ' ' LYS . 1.8 tt0 -44.06 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 3.4 pp0? -36.65 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.9 tt0 -69.53 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 5.8 m-85 -69.95 -10.48 58.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.29 -52.05 25.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -31.01 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -59.64 -61.74 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' 1022 ' ' LEU . 2.1 ptm -54.04 -24.37 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.495 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -73.78 -45.55 51.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.3 m -46.66 -46.74 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.81 58.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -58.73 -31.56 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1026 ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.9 OUTLIER -75.27 -53.26 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.37 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 8.3 mt -56.21 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -38.21 -46.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1030 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -70.82 -53.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -42.87 -53.36 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.563 ' CB ' ' CG1' ' A' ' 933' ' ' VAL . . . -55.78 -39.34 71.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' 1030 ' ' VAL . 2.3 tppt? -65.67 -44.06 87.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -56.49 -33.66 66.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.44 -62.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.522 HD23 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.31 -41.05 94.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -40.06 -50.93 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 983' ' ' GLU . 51.2 t -62.81 -41.76 93.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' 1036 ' ' LEU . 18.9 mt -58.77 -45.67 91.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1040 ' ' ASP . . . . . 0.491 ' HA ' ' CD ' ' A' 1043 ' ' ARG . 0.5 OUTLIER -50.46 -40.68 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' 1045 ' ' LYS . 28.5 mt-30 -75.52 -18.51 59.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.554 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -79.96 -64.38 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' 1040 ' ' ASP . 0.0 OUTLIER -38.24 -64.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' 1045 ' ' LYS . 4.2 pp -52.24 -38.87 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -42.98 -27.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.424 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -90.9 -56.28 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.17 -47.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 3.9 t -55.41 -62.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -58.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 39.1 t -172.94 125.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.994 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -93.46 117.01 67.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.533 0.206 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 918' ' ' LEU . . . -104.09 94.87 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.16 69.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 916' ' ' ALA . 3.9 mp -125.02 55.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -83.3 8.68 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 50.6 m -87.31 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.658 ' ND2' HH22 ' A' 1043 ' ' ARG . 12.3 p-10 -71.5 -7.46 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.43 -28.42 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.469 ' HA ' ' CG2' ' A' ' 968' ' ' THR . 68.4 t -56.37 -45.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.8 m-85 -66.87 -34.61 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -66.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -45.18 -41.0 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.1 t -55.74 -63.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.435 ' HA ' ' CG2' ' A' ' 933' ' ' VAL . 3.3 p -55.09 -65.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.81 -36.88 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 935' ' ' ALA . 0.0 OUTLIER -68.86 -72.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' 1029 ' ' ALA . 8.1 m -48.27 -30.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.17 -38.55 86.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.8 -49.38 12.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 935' ' ' ALA . 3.7 t -36.9 -39.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 938' ' ' GLU . 11.3 mt -84.82 -68.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -32.51 -48.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.4 ttp -47.27 -66.38 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.461 ' HB3' ' CD1' ' A' 1022 ' ' LEU . 1.5 m -38.17 -37.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -63.85 -51.81 62.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -98.72 25.13 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.597 HD13 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.09 -49.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.2 -53.19 17.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.96 -50.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.77 123.27 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.471 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.05 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.471 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -15.18 20.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.83 -26.34 21.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.539 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -102.02 -12.67 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.597 ' CE1' HD13 ' A' ' 943' ' ' ILE . 16.5 t80 -89.86 -31.14 17.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.607 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.5 t -50.65 -46.55 85.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.05 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -31.47 -64.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.958 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.583 HG21 ' CE1' ' A' ' 951' ' ' TYR . 25.1 t -56.42 -51.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -47.71 -35.06 9.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -39.5 91.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -56.83 -41.95 76.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.42 ' N ' HG12 ' A' ' 958' ' ' VAL . . . -57.92 -39.36 91.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -41.23 86.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -73.12 -41.84 63.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' ' 962' ' ' LEU . 0.0 OUTLIER -68.11 -39.59 82.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . 0.429 ' N ' HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -62.64 -51.24 68.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 21.3 m -59.1 -27.95 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.4 OUTLIER -56.56 -57.05 14.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' A' ' 962' ' ' LEU . 5.6 mp -46.62 -52.46 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.69 -55.19 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 925' ' ' VAL . 0.5 OUTLIER -52.54 -36.25 55.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 56.2 t -64.46 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 12.2 t70 -50.6 -39.72 50.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 8.4 mt-10 -69.57 -23.08 63.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -83.83 -32.35 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.3 OUTLIER -36.58 -53.13 1.81 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -40.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 66.2 t -51.99 -34.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.2 OUTLIER -108.57 159.3 31.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.415 ' HB2' ' CE1' ' A' ' 981' ' ' HIS . . . -63.23 -13.17 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 54.6 p -59.94 -18.98 49.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.537 ' CG2' ' HB3' ' A' 1042 ' ' ALA . 0.7 OUTLIER -106.08 40.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 978' ' ' ALA . 6.8 m170 -84.79 -95.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -54.07 -44.43 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -50.26 -46.38 54.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 988' ' ' GLN . 4.4 mt -68.12 -35.23 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.56 -41.29 98.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.6 mtm -69.85 -35.82 75.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.13 62.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 984' ' ' ILE . 3.7 mm-40 -83.29 -42.95 16.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -25.63 67.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -57.36 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.63 -48.73 39.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 995' ' ' LEU . 7.5 t30 -57.29 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 993' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 992' ' ' ASN . 0.3 OUTLIER -38.49 -56.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.504 ' CB ' ' CD1' ' A' 1028 ' ' LEU . 46.1 m-20 -61.87 -41.93 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 992' ' ' ASN . 0.1 OUTLIER -47.94 -50.51 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.28 64.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -56.64 -28.4 60.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -48.83 16.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.32 -53.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.08 -52.07 67.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -47.54 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.57 ' HG2' ' CE2' ' A' ' 951' ' ' TYR . 3.7 tmm? -60.32 -50.41 73.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -50.97 -28.74 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.83 -51.22 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -47.49 -37.95 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.48 ' CD ' ' CG2' ' A' ' 952' ' ' VAL . 1.2 mt-30 -51.11 -37.28 45.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -28.62 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.692 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.5 m-85 -90.23 30.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.415 ' C ' ' N ' ' A' 1011 ' ' THR . 6.5 p -117.81 -50.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -26.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' 1013 ' ' LEU . 4.3 t -106.03 170.18 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 17.1 m -56.03 -20.92 18.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' 1016 ' ' GLU . 0.2 OUTLIER -51.03 -22.31 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.0 OUTLIER -41.84 -77.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -39.78 -29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' 1013 ' ' LEU . 2.9 tt0 -67.82 -61.09 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.692 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 0.8 OUTLIER -65.62 -16.04 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 111.029 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.411 ' CE ' ' HG2' ' A' 1014 ' ' GLN . 0.0 OUTLIER -71.66 -40.53 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1019 ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' 1023 ' ' THR . 2.7 mmpt? -70.38 -31.04 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -64.49 -65.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -50.83 -25.48 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.2 OUTLIER -74.62 -53.86 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1023 ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' 1019 ' ' LYS . 5.9 m -38.32 -45.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1024 ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' 1026 ' ' HIS . . . -77.09 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.81 -25.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1026 ' ' HIS . . . . . 0.439 ' N ' ' C ' ' A' 1024 ' ' ALA . 26.4 t60 -76.06 -62.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.22 95.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.504 ' CD1' ' CB ' ' A' ' 994' ' ' ASP . 1.9 mm? -48.76 -65.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -39.5 -52.11 2.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.89 -43.87 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' 1028 ' ' LEU . 68.9 m-20 -54.84 -47.96 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1032 ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' 1035 ' ' LEU . . . -58.7 -22.47 57.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -47.11 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1034 ' ' ASN . . . . . 0.503 ' OD1' ' C ' ' A' 1034 ' ' ASN . 9.7 p30 -60.92 -22.42 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.463 ' N ' ' OD1' ' A' 1034 ' ' ASN . 0.2 OUTLIER -65.62 -62.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -68.95 -39.65 79.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.16 -40.75 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' 1039 ' ' ILE . 1.2 p -72.16 -26.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.496 ' N ' HG12 ' A' 1038 ' ' VAL . 11.4 mt -73.35 -52.4 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -52.31 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.476 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 15.3 mt-30 -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.537 ' HB3' ' CG2' ' A' ' 980' ' ' THR . . . -72.33 -57.4 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.658 HH22 ' ND2' ' A' ' 922' ' ' ASN . 11.0 ttm180 -38.77 -63.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 2.6 pp -47.51 -43.02 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' 1042 ' ' ALA . 8.0 tttp -43.8 -34.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 19.2 ttp -83.7 -49.32 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.0 mp -46.15 -57.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.57 57.75 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -168.3 33.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 7.6 t -164.79 81.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.83 122.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.17 27.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 21.5 t60 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.641 179.967 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -51.11 -49.07 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.71 91.31 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 3.8 mp -85.32 71.45 10.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 923' ' ' ASP . 10.6 p-10 -103.23 33.21 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -86.14 -78.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.11 -48.05 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -56.27 -19.83 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.4 OUTLIER -74.99 -45.96 38.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 23.9 t -74.1 -62.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.572 ' CD1' HD21 ' A' 1036 ' ' LEU . 3.7 m-30 -50.26 -21.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 923' ' ' ASP . 1.5 mm-40 -71.42 -67.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 927' ' ' GLU . 0.5 OUTLIER -38.68 -49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 965' ' ' LEU . 29.3 t -50.55 -56.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' GLY . 10.5 p -68.54 -63.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.3 -59.55 0.63 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.2 OUTLIER -55.96 -50.38 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' 1029 ' ' ALA . 0.9 OUTLIER -55.82 -55.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 933' ' ' VAL . 0.6 OUTLIER -39.95 -38.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -77.52 -51.69 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.9 -40.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.3 mt -84.41 -68.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.37 -47.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.533 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 13.4 ttm -44.95 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.487 ' HA ' ' HB ' ' A' ' 943' ' ' ILE . 22.8 m -38.92 -39.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 941' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 938' ' ' GLU . 3.3 t -59.15 -61.81 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -91.1 28.62 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.14 -52.87 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.5 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.08 -52.91 11.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.04 -50.48 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -31.07 124.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.466 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.51 8.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -14.48 21.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.15 -21.27 22.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.4 OUTLIER -106.08 -6.34 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.565 ' CD1' HD12 ' A' ' 943' ' ' ILE . 13.6 t80 -92.89 -40.74 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.11 -47.35 81.8 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.82 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.461 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -33.11 -54.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.469 ' CG1' ' CD1' ' A' ' 999' ' ' ILE . 2.5 t -66.23 -54.24 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.93 -30.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -72.55 -52.57 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -53.08 -38.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -62.35 -41.47 99.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.35 87.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 991' ' ' LEU . 1.8 mt -54.03 -47.98 70.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.82 -54.09 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 1.2 m -61.69 -44.66 96.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 991' ' ' LEU . 3.5 tp -43.2 -47.63 6.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 6.1 mp -56.39 -58.02 9.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.53 -62.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 968' ' ' THR . . . . . . . . . . . . . 72.8 p -49.64 -44.54 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 37.6 t -59.29 -37.88 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -49.43 -40.13 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.447 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 4.3 tt0 -72.61 -22.53 60.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 969' ' ' VAL . 0.2 OUTLIER -86.76 -16.02 37.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.2 OUTLIER -53.84 -53.02 62.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -75.0 -35.28 3.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . . . . . . . . . 55.8 t -48.69 -29.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.493 HD11 ' CB ' ' A' 1042 ' ' ALA . 0.4 OUTLIER -109.44 164.45 14.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 976' ' ' LEU . 18.2 Cg_endo -74.99 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -83.96 45.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.94 2.21 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.562 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -116.08 -29.67 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.358 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.565 ' CD2' HD22 ' A' ' 973' ' ' LEU . 25.7 m170 -45.29 -31.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -71.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.473 ' HB3' ' CG1' ' A' 1038 ' ' VAL . 0.0 OUTLIER -50.73 -44.18 58.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.515 ' CD1' ' OG1' ' A' ' 980' ' ' THR . 13.7 mt -61.45 -36.11 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -46.76 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.6 mtm -74.92 -22.14 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -82.07 -24.86 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -46.98 13.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -37.66 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -49.48 74.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 965' ' ' LEU . 30.7 tp -56.23 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -40.92 -48.71 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.32 -72.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.406 ' CB ' HD22 ' A' 1028 ' ' LEU . 1.8 m-20 -52.47 -21.77 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.49 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -68.55 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -48.92 -54.7 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.79 -37.39 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' 1028 ' ' LEU . 10.5 tt -68.05 -45.46 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.469 ' CD1' ' CG1' ' A' ' 955' ' ' VAL . 45.6 mm -55.06 -52.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.09 -37.82 81.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -46.18 84.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -70.37 -23.18 62.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.4 OUTLIER -68.67 -40.63 80.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' 1005 ' ' ALA . 27.6 mt -72.12 -54.54 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1004 ' ' LEU . . . -38.34 -48.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CG2' ' A' ' 952' ' ' VAL . 1.8 tt0 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -29.33 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.765 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 15.6 m-85 -90.37 34.29 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' 1006 ' ' GLN . 11.5 p -124.88 -54.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -40.12 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.488 ' HG1' ' N ' ' A' 1012 ' ' SER . 0.1 OUTLIER -49.53 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.488 ' N ' ' HG1' ' A' 1011 ' ' THR . 29.6 t 176.43 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' 1013 ' ' LEU . 0.2 OUTLIER -70.59 57.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1012 ' ' SER . 43.7 tt0 -85.35 -73.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -43.21 -33.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -66.45 -58.02 6.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.765 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 3.3 m-85 -68.05 -13.25 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' 1021 ' ' MET . 0.0 OUTLIER -71.49 -46.8 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -37.93 89.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -50.85 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1021 ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' 1022 ' ' LEU . 6.0 ptm -55.34 -25.38 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -70.37 -45.68 65.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 22.7 m -47.41 -46.63 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.16 55.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.48 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1026 ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.7 OUTLIER -75.23 -54.38 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.74 81.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' 1031 ' ' ASP . 10.3 mt -53.65 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.479 ' HA ' ' CG2' ' A' ' 933' ' ' VAL . . . -40.95 -43.17 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.5 t -70.96 -43.82 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' 1028 ' ' LEU . 72.4 m-20 -54.55 -52.39 62.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.74 -26.63 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1033 ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' 1035 ' ' LEU . 29.8 mmtt -73.46 -63.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -40.85 -29.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1035 ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 984' ' ' ILE . 21.2 tp -62.97 -70.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.92 -41.38 91.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -42.62 -41.84 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 983' ' ' GLU . 74.7 t -71.77 -39.25 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' 1036 ' ' LEU . 7.6 mt -53.77 -59.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.65 -44.62 27.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.487 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 0.9 OUTLIER -69.59 -25.83 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -79.28 -47.86 15.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -45.78 -54.35 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 3.0 pp -55.75 -44.91 78.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.418 ' N ' HD11 ' A' 1044 ' ' LEU . 0.0 OUTLIER -42.87 -32.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 10.5 ttp -85.58 -48.24 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.43 -70.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 5.1 t -73.46 70.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.33 29.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -59.3 4.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.28 122.58 79.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.484 0.183 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -79.76 152.71 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.91 137.55 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.9 mp -123.71 99.28 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -167.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.27 17.52 5.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 2.6 p-10 -70.58 -8.14 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.8 t70 -76.39 -35.25 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -44.35 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.66 -49.52 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.712 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 7.2 m-30 -65.46 -29.55 70.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -69.88 -52.21 26.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -55.73 -50.54 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.433 ' CG2' HD21 ' A' ' 965' ' ' LEU . 84.7 t -50.79 -55.72 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.9 p -60.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -36.25 -53.57 1.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.1 OUTLIER -58.69 -52.08 67.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 936' ' ' VAL . 1.2 t -57.03 -56.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 933' ' ' VAL . 0.2 OUTLIER -40.13 -37.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -75.59 -50.09 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.57 -42.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 938' ' ' GLU . 4.1 mt -84.63 -67.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -34.73 -53.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.488 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -46.17 -61.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.466 ' HA ' ' HB ' ' A' ' 943' ' ' ILE . 57.8 m -41.85 -37.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 6.4 t -64.78 -55.35 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.12 24.07 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.36 -54.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.4 tt0 -45.94 -49.92 37.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -37.07 135.12 0.66 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.472 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 177.57 8.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.55 -28.62 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.558 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -92.85 -8.2 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.609 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -83.42 -49.08 9.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.34 -47.5 57.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.513 ' CE ' HG12 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -28.92 -60.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.408 ' HB ' ' SD ' ' A' 1002 ' ' MET . 6.8 t -60.93 -52.12 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -44.37 -32.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -51.37 59.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -51.29 -36.37 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.402 ' N ' HG11 ' A' ' 958' ' ' VAL . . . -65.0 -43.15 96.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -38.76 88.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.88 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 966' ' ' LEU . 0.0 OUTLIER -63.18 -34.69 78.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -57.53 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 964' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 968' ' ' THR . 3.4 m -53.61 -29.37 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.0 OUTLIER -58.06 -53.24 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 6.9 mp -48.81 -49.84 37.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.74 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 964' ' ' THR . 69.9 p -51.79 -37.53 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 82.8 t -62.33 -43.35 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.1 t70 -49.12 -38.35 24.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 6.4 mt-10 -76.82 -24.28 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.502 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.08 -27.69 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.51 -52.2 10.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.05 -34.02 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 972' ' ' SER . 21.6 t -46.64 -32.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 972' ' ' SER . 0.7 OUTLIER -109.81 154.84 42.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.444 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.2 Cg_endo -75.0 -175.73 2.52 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -54.63 176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.88 29.79 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.564 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 1.0 OUTLIER -117.31 -59.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 985' ' ' GLU . 2.7 p80 -44.34 -52.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.53 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.438 ' CB ' HG13 ' A' 1038 ' ' VAL . 13.0 mt-10 -54.76 -45.07 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 980' ' ' THR . 8.6 mt -56.64 -30.66 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -65.94 -44.39 85.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.0 mtm -66.86 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.39 -33.22 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.11 -46.7 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -55.32 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -41.35 -56.79 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.552 ' CB ' ' CD1' ' A' 1028 ' ' LEU . 43.3 m-20 -47.23 -47.56 24.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 962' ' ' LEU . 0.3 OUTLIER -48.8 -62.39 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -37.57 -52.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.2 OUTLIER -59.02 -40.81 86.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' 1002 ' ' MET . 6.0 mm -64.89 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -42.43 -36.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -54.33 47.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' ' 999' ' ' ILE . 0.8 OUTLIER -57.42 -20.06 27.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.6 mtpt -77.38 -29.41 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 23.5 mt -89.48 -50.73 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -47.21 -34.33 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -35.51 70.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.8 -27.8 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.733 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 9.5 m-85 -87.83 26.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.445 HG21 ' CG ' ' A' 1014 ' ' GLN . 4.1 p -113.48 -48.83 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -40.93 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.2 OUTLIER -50.51 -62.08 1.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.6 OUTLIER 161.02 -26.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' 1013 ' ' LEU . 0.3 OUTLIER -78.37 53.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.445 ' CG ' HG21 ' A' 1009 ' ' VAL . 18.7 tt0 -84.46 -75.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -25.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.47 -58.2 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.733 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 4.2 m-85 -65.14 -25.4 67.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 11.5 mptt -67.54 -34.02 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -32.77 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -56.38 -68.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 5.2 ppp? -52.36 -31.19 32.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -61.21 -58.81 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.0 m -39.92 -48.14 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.58 76.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.59 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -59.86 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.552 ' CD1' ' CB ' ' A' ' 994' ' ' ASP . 0.4 OUTLIER -59.16 -61.38 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.69 -43.78 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -73.06 -48.49 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 18.7 t0 -43.47 -48.72 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.83 85.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.85 -38.13 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.62 -36.71 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.06 -61.84 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.712 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.32 -39.88 94.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -45.85 -44.08 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.438 HG13 ' CB ' ' A' ' 983' ' ' GLU . 46.9 t -68.3 -31.49 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.491 ' N ' ' O ' ' A' 1036 ' ' LEU . 13.1 mt -70.91 -40.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -45.89 70.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' 1038 ' ' VAL . 3.1 pt20 -71.35 -22.82 61.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.564 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -75.18 -47.19 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' 1045 ' ' LYS . 1.5 pp -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.425 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.99 -36.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 5.1 ttp -80.91 -51.88 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mt -53.41 -40.25 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 5.9 t -103.12 107.09 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.87 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.17 66.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -109.02 133.94 20.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1053 ' ' HIS . . . . . 0.429 ' O ' ' CG ' ' A' 1053 ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.463 0.173 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -77.38 156.86 30.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -87.03 126.26 34.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.89 90.8 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -96.86 25.25 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -72.71 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 70.3 m -88.0 20.36 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -73.94 -45.31 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.9 OUTLIER -75.67 -21.16 57.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -61.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 968' ' ' THR . 43.8 t -55.06 -37.47 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.602 ' CZ ' ' CD2' ' A' 1036 ' ' LEU . 3.3 m-85 -74.87 -21.94 58.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -81.6 -61.08 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -47.42 -36.24 9.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 925' ' ' VAL . 54.8 t -66.43 -63.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -63.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -47.69 -28.14 5.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.47 -59.16 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.793 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . 0.439 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 31.9 m -65.45 -39.09 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -60.08 -30.11 69.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -90.35 -51.43 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 935' ' ' ALA . 1.2 t -38.23 -37.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 938' ' ' GLU . 19.2 mt -84.33 -64.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.528 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -28.57 -48.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.482 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.1 ttp -42.39 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.518 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.7 m -37.87 -37.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -51.55 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.11 28.88 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.542 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.77 -50.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.39 -52.9 12.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -33.81 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.435 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.97 176.33 10.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.02 -17.54 19.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.37 -16.79 36.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.598 ' CE1' ' HG3' ' A' 1002 ' ' MET . 1.3 t80 -93.17 -40.67 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -51.44 -47.42 89.05 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 943' ' ' ILE . 0.4 OUTLIER -32.77 -53.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 999' ' ' ILE . 93.9 t -68.04 -49.95 63.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 953' ' ' PRO . 1.5 mmmp? -43.99 -36.23 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 960' ' ' LEU . 8.4 tt0 -65.47 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 48.7 t -43.09 -46.99 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -54.68 -39.89 68.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.3 OUTLIER -62.45 -35.69 80.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.25 -46.02 79.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 991' ' ' LEU . 3.4 mm? -54.64 -54.9 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.24 -55.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 27.6 m -64.61 -45.73 85.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.426 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 0.1 OUTLIER -50.38 -48.99 55.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 3.6 mp -48.12 -59.73 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -54.06 -50.24 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 925' ' ' VAL . 0.4 OUTLIER -54.85 -36.88 65.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 972' ' ' SER . 78.1 t -64.02 -43.18 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.4 t0 -49.96 -35.38 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.502 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 8.6 tt0 -77.5 -23.77 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.499 ' O ' ' CD2' ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.63 -29.49 24.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.17 -51.5 7.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -74.98 -35.06 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 972' ' ' SER . 16.3 t -47.09 -27.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 972' ' ' SER . 1.5 mm? -109.3 146.16 33.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.1 Cg_endo -75.05 159.45 41.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -57.72 118.56 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 p 158.82 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.541 ' O ' ' CG1' ' A' ' 984' ' ' ILE . 10.0 t -116.88 34.88 4.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 982' ' ' ARG . 30.7 m170 -80.76 -78.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 985' ' ' GLU . 6.3 tpt180 -38.24 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' 1038 ' ' VAL . 0.1 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.541 ' CG1' ' O ' ' A' ' 980' ' ' THR . 25.9 mt -60.71 -39.47 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -64.55 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.9 mtp -78.63 -27.87 45.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -76.54 -17.84 59.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -82.16 -45.91 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -36.96 84.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -40.26 96.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 962' ' ' LEU . 16.0 tp -58.1 -55.16 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.04 -58.14 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 7.9 t -43.67 -59.38 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.531 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 35.3 m-20 -56.89 -47.19 81.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.2 OUTLIER -49.91 -57.26 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -43.2 -51.25 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -58.05 -34.48 70.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.2 OUTLIER -74.65 -48.07 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.478 HD11 ' CG1' ' A' ' 955' ' ' VAL . 51.2 mm -53.88 -46.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 1003 ' ' LYS . 22.4 t30 -63.09 -49.57 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -40.99 -35.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.598 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 1.7 ttp -80.05 -40.72 27.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' 1000 ' ' ASN . 2.7 mtpt -52.55 -50.24 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1004 ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' 1008 ' ' TYR . 0.5 OUTLIER -66.33 -52.53 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -54.64 -18.52 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 952' ' ' VAL . 3.3 tp-100 -76.08 -30.35 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.86 -31.08 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.75 ' CE2' ' CZ ' ' A' 1017 ' ' TYR . 2.3 m-85 -71.67 -28.22 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' 1011 ' ' THR . 2.0 p -40.65 -55.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' 1010 ' ' MET . 3.4 ttp -67.47 57.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' 1012 ' ' SER . 31.5 m -160.02 -36.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.9 t 98.96 -5.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.54 ' HG ' ' CG2' ' A' 1011 ' ' THR . 0.3 OUTLIER -83.11 -9.31 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -46.59 -53.07 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -35.64 -42.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -67.09 -59.02 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.75 ' CZ ' ' CE2' ' A' 1008 ' ' TYR . 24.5 m-85 -59.67 -22.26 61.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.8 OUTLIER -69.39 -41.02 77.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -63.11 -33.73 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -62.95 -44.86 94.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -42.32 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' 1023 ' ' THR . 3.3 tm? -61.19 -56.55 19.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1023 ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' 1022 ' ' LEU . 1.8 m -37.62 -49.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.22 64.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.29 -25.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -71.51 -62.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.34 75.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.531 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 1.0 OUTLIER -61.07 -64.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1029 ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -40.11 -36.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.3 t -78.8 -46.77 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1031 ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' 1028 ' ' LEU . 7.9 m-20 -43.79 -51.78 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.61 98.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -48.33 64.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1034 ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' 1031 ' ' ASP . 3.8 m-20 -50.69 -46.0 58.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.602 ' CD2' ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.09 -43.99 63.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.2 -44.52 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1038 ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 983' ' ' GLU . 83.9 t -67.23 -42.67 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.481 ' CG1' ' CD1' ' A' ' 984' ' ' ILE . 6.6 mt -53.74 -53.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -42.38 42.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.498 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 3.3 mt-30 -61.41 -22.02 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.493 ' HB3' ' CG2' ' A' ' 980' ' ' THR . . . -79.99 -55.46 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -46.48 -59.87 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -50.36 -46.84 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' 1044 ' ' LEU . 0.0 OUTLIER -51.21 -26.45 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.475 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 0.8 OUTLIER -95.84 -37.99 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.87 -57.19 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 7.4 t -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.2 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 33.0 m 41.6 59.6 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -92.3 114.56 62.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.46 35.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 20.8 t60 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.953 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.496 0.188 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.34 62.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -88.14 155.57 19.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 8.9 mp -116.81 32.08 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 921' ' ' SER . 0.4 OUTLIER -54.52 166.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 920' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 921' ' ' SER . 19.3 tpp180 -38.58 95.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 921' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 920' ' ' ARG . 0.5 OUTLIER -29.26 109.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 922' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 922' ' ' ASN . 0.8 OUTLIER -55.92 -18.27 8.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -74.21 -40.04 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -43.89 93.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . 0.476 ' HA ' ' CG2' ' A' ' 968' ' ' THR . 52.2 t -69.28 -45.11 79.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 926' ' ' TYR . . . . . 0.518 ' CD1' ' CD1' ' A' 1036 ' ' LEU . 1.8 m-85 -64.32 -23.45 67.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 931' ' ' GLY . 3.2 mm-40 -69.9 -68.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -47.2 -23.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 927' ' ' GLU . 13.6 t -75.45 -66.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 930' ' ' THR . . . . . 0.413 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 2.8 t -62.91 -48.64 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 931' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -50.43 -41.04 40.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 932' ' ' LEU . . . . . 0.486 ' CD1' ' HG ' ' A' ' 962' ' ' LEU . 0.0 OUTLIER -58.75 -65.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 0.733 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 933' ' ' VAL . . . . . . . . . . . . . 19.9 m -52.97 -39.23 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 934' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -49.78 -32.26 13.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -87.35 -44.25 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 936' ' ' VAL . . . . . . . . . . . . . 42.3 t -41.63 -47.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 937' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 938' ' ' GLU . 18.4 mt -73.01 -64.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.18 -45.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 939' ' ' MET . . . . . 0.48 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -45.21 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.604 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.5 p -40.88 -34.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 941' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 1.1 t -57.32 -53.46 57.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -108.62 32.57 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 943' ' ' ILE . . . . . 0.604 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.2 OUTLIER -94.24 -51.98 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -42.28 -53.17 9.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 942' ' ' LYS . . . -34.15 126.87 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 947' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -13.5 21.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.18 -23.8 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 950' ' ' GLU . . . . . 0.427 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -104.35 -7.21 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 951' ' ' TYR . . . . . 0.602 ' CE1' HD12 ' A' ' 943' ' ' ILE . 34.0 t80 -93.18 -38.2 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 952' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -51.14 -48.17 85.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 953' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -35.06 -68.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 955' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' 1002 ' ' MET . 63.3 t -53.05 -54.46 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 955' ' ' VAL . 2.9 mtpt -39.52 -33.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.7 OUTLIER -67.33 -58.03 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 958' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -44.56 -46.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . 0.45 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.4 -39.8 74.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.26 99.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.96 90.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 962' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' A' ' 932' ' ' LEU . 4.0 mt -58.69 -52.8 64.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -55.74 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 12.4 m -57.66 -44.17 85.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 969' ' ' VAL . 1.2 tt -48.48 -51.59 26.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 965' ' ' LEU . 50.6 mt -46.14 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.34 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 968' ' ' THR . . . . . 0.476 ' CG2' ' HA ' ' A' ' 925' ' ' VAL . 90.6 m -50.73 -47.68 59.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 965' ' ' LEU . 23.1 t -58.77 -37.76 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 970' ' ' ASP . . . . . 0.414 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.2 t70 -48.9 -42.82 38.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 971' ' ' GLU . . . . . 0.485 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 53.1 mt-10 -69.43 -23.06 63.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 972' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 969' ' ' VAL . 0.5 OUTLIER -84.29 -30.0 25.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 973' ' ' LEU . . . . . 0.493 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -38.32 -52.49 3.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 974' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.01 -36.16 2.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 975' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 47.4 t -48.16 -32.18 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 976' ' ' LEU . 1.5 mm? -110.69 160.03 30.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 976' ' ' LEU . 18.4 Cg_endo -74.98 149.75 37.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 978' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -49.67 -23.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 87.8 p -43.13 -29.81 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.941 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 980' ' ' THR . . . . . 0.613 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 5.2 t -116.57 45.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 981' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -80.83 -83.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.563 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 982' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 985' ' ' GLU . 25.5 tpp180 -40.01 -63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -39.12 -51.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' 1039 ' ' ILE . 9.1 mt -63.25 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 985' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -63.0 -33.36 75.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 986' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 982' ' ' ARG . 11.7 mtp -81.48 -23.93 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.8 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.35 -50.63 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -43.42 86.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -53.36 59.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 991' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 995' ' ' LEU . 14.8 tp -48.83 -54.3 15.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 992' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t30 -55.5 -65.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.78 -56.24 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 994' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.6 OUTLIER -62.04 -34.92 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 995' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -58.14 -60.23 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.6 26.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -33.53 60.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -48.52 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 999' ' ' ILE . . . . . 0.467 ' CG1' HD13 ' A' ' 995' ' ' LEU . 17.1 mm -55.79 -41.95 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1000 ' ' ASN . . . . . 0.409 ' C ' ' N ' ' A' 1002 ' ' MET . 4.5 t-20 -65.74 -56.31 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.2 OUTLIER -39.86 -31.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1002 ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -80.11 -52.22 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -49.41 -23.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.3 mt -88.46 -42.16 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1005 ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' 1009 ' ' VAL . . . -50.81 -22.22 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1006 ' ' GLN . . . . . 0.42 ' O ' ' CG1' ' A' 1009 ' ' VAL . 6.1 tp60 -73.23 -36.99 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.88 -38.29 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1008 ' ' TYR . . . . . 0.754 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 70.2 m-85 -85.78 45.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1009 ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' 1010 ' ' MET . 3.4 p -135.31 -45.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1010 ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -28.32 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1011 ' ' THR . . . . . 0.487 ' HG1' ' N ' ' A' 1012 ' ' SER . 0.0 OUTLIER -45.87 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1012 ' ' SER . . . . . 0.487 ' N ' ' HG1' ' A' 1011 ' ' THR . 3.0 p 168.84 32.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' 1016 ' ' GLU . 5.2 tp -84.39 -12.23 54.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.1 OUTLIER -36.73 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1015 ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' 1014 ' ' GLN . 13.3 pt20 -33.56 -36.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' 1014 ' ' GLN . 5.3 tt0 -66.93 -67.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1017 ' ' TYR . . . . . 0.754 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 2.3 m-85 -62.77 -29.72 70.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.443 ' NZ ' HG22 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -50.6 -51.02 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.39 97.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -51.97 -51.77 54.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -46.2 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' 1026 ' ' HIS . 0.1 OUTLIER -54.6 -40.93 69.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.7 m -51.96 -44.64 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.73 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.75 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1026 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 1022 ' ' LEU . 33.8 t60 -74.88 -54.98 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.46 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1028 ' ' LEU . . . . . 0.513 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -59.62 -62.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1029 ' ' ALA . . . . . . . . . . . . . . . -43.07 -44.95 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.9 t -69.3 -46.29 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -45.99 -56.45 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -53.93 -36.91 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.55 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 28.1 t30 -42.55 -39.29 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.98 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1036 ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 926' ' ' TYR . 10.0 tt -61.27 -38.38 86.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.81 -47.66 8.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1038 ' ' VAL . . . . . . . . . . . . . 12.5 t -64.45 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1039 ' ' ILE . . . . . 0.464 HG13 ' CD1' ' A' ' 984' ' ' ILE . 2.1 mt -59.8 -54.09 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.04 -44.86 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1041 ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' 1044 ' ' LEU . 4.9 mt-30 -64.46 -20.4 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1042 ' ' ALA . . . . . 0.613 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -83.89 -57.69 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1043 ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.4 ttp180 -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' 1041 ' ' GLN . 3.6 pp -68.09 -49.92 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1045 ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' 1042 ' ' ALA . 15.8 mttm -39.89 -31.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 15.3 ttp -83.88 -52.83 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mt -51.97 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 74.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.12 33.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 5.7 t 55.55 89.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -111.3 98.63 40.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 7.0 t-160 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.618 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 16.1 t70 -75.49 -43.0 51.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -60.37 -41.75 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.946 HG22 HG22 ' A' ' 968' ' ' THR . 12.2 t -72.24 -51.22 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 1.009 ' CD1' HD11 ' A' 1036 ' ' LEU . 8.5 m-30 -65.39 -15.36 62.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 2.7 mm-40 -77.26 -68.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.447 ' HB3' HD23 ' A' ' 965' ' ' LEU . 1.0 OUTLIER -40.01 -54.3 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.538 HG13 ' HB1' ' A' 1032 ' ' ALA . 73.9 t -46.59 -62.27 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 934' ' ' LYS . 7.6 p -60.75 -65.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.25 -59.02 0.65 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -56.79 -47.19 80.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.4 t -59.89 -62.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.509 ' N ' HG12 ' A' ' 933' ' ' VAL . 1.9 mttt -39.98 -31.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 939' ' ' MET . . . -82.47 -49.56 9.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.518 HG23 HD12 ' A' ' 932' ' ' LEU . 2.9 t -37.98 -38.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 933' ' ' VAL . 4.6 mp -84.14 -65.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -52.97 4.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 3.4 ppp? -50.41 -31.8 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 937' ' ' ILE . 13.1 m -66.29 -39.07 89.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 45.9 t -67.26 -50.67 59.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.829 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -83.13 7.45 15.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.1 OUTLIER -76.99 -61.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.623 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.1 OUTLIER -35.72 -53.6 1.39 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.4 Cg_endo -74.92 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -30.46 122.23 0.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 178.34 7.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.06 -12.23 21.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -92.43 -28.06 17.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.45 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -100.58 -11.77 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.676 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 9.1 t80 -89.8 -41.67 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.815 HG23 ' HG3' ' A' 1006 ' ' GLN . 0.9 OUTLIER -43.52 -49.76 17.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.0 Cg_endo -75.08 -46.31 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 953' ' ' PRO . 5.9 ttp -34.34 -61.66 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.552 ' CG1' HD13 ' A' ' 999' ' ' ILE . 3.2 t -64.38 -42.73 96.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -51.56 -36.47 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -53.99 40.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 995' ' ' LEU . 75.7 t -50.68 -40.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.592 ' HA2' HD12 ' A' ' 995' ' ' LEU . . . -70.75 -37.78 66.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 960' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 960' ' ' LEU . 0.1 OUTLIER -63.82 -41.84 97.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.39 78.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.572 HD11 ' HG ' ' A' ' 991' ' ' LEU . 0.6 OUTLIER -52.95 -54.02 41.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -59.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.894 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.5 OUTLIER -54.07 -48.97 70.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 9.8 mp -48.99 -56.07 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.6 79.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.946 HG22 HG22 ' A' ' 925' ' ' VAL . 23.0 m -56.98 -41.55 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 965' ' ' LEU . 21.9 t -57.51 -47.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -48.13 -41.45 26.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 975' ' ' VAL . 15.7 tt0 -74.54 -24.03 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.572 ' OG ' HG21 ' A' ' 925' ' ' VAL . 0.1 OUTLIER -84.06 -30.07 26.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.546 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.1 OUTLIER -39.46 -52.9 4.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.91 -34.55 3.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.6 t -47.59 -27.1 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.83 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.6 mm? -108.72 157.65 36.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -74.98 148.44 35.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -56.03 118.44 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.4 t 156.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.686 HG21 ' CB ' ' A' 1042 ' ' ALA . 6.6 t -116.05 37.62 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.472 ' NE2' ' N ' ' A' ' 979' ' ' SER . 0.0 OUTLIER -82.36 -77.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -38.99 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -40.03 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.79 HD11 ' CG1' ' A' 1039 ' ' ILE . 6.7 mt -54.04 -51.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.69 -45.84 81.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 26.8 mtp -66.17 -27.77 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.894 ' HB1' HD22 ' A' 1035 ' ' LEU . . . -71.44 -41.19 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -53.05 -51.42 61.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.94 70.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -54.91 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.572 ' HG ' HD11 ' A' ' 962' ' ' LEU . 2.1 tp -56.17 -57.36 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -49.5 17.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -70.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.684 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.8 OUTLIER -48.38 -42.34 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.592 HD12 ' HA2' ' A' ' 959' ' ' GLY . 0.5 OUTLIER -54.7 -62.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.75 -51.49 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.759 HD13 HD11 ' A' 1028 ' ' LEU . 6.2 tt -75.45 -42.84 52.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.552 HD13 ' CG1' ' A' ' 955' ' ' VAL . 6.0 mm -58.92 -48.55 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -57.73 -51.6 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -43.02 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 4.2 ttp -66.64 -59.92 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.14 -31.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1007 ' ' GLN . 10.7 mt -83.07 -57.62 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.676 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -44.66 -38.76 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.815 ' HG3' HG23 ' A' ' 952' ' ' VAL . 0.8 OUTLIER -53.88 -36.51 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1007 ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' 1004 ' ' LEU . 13.3 tt0 -98.66 -29.55 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.629 ' HD1' HD11 ' A' 1013 ' ' LEU . 33.9 m-85 -88.89 32.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.907 HG23 ' HG3' ' A' 1014 ' ' GLN . 6.7 p -120.94 -47.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.956 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -61.52 -18.24 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.956 HG23 ' CE ' ' A' 1010 ' ' MET . 0.0 OUTLIER -70.56 -78.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.98 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.943 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' 1013 ' ' LEU . 3.7 pp -80.03 52.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.907 ' HG3' HG23 ' A' 1009 ' ' VAL . 1.1 tt0 -79.36 -67.51 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -29.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -63.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1017 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -64.34 -38.55 91.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.14 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -49.21 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -43.69 -50.96 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -48.03 61.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -50.04 -47.85 53.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.9 m -45.36 -55.04 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.03 86.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -49.28 -34.35 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.52 -58.19 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.29 77.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.759 HD11 HD13 ' A' ' 998' ' ' LEU . 6.8 mt -55.22 -66.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.54 -43.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.4 t -68.3 -51.36 48.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -46.54 -51.85 14.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.538 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -60.32 -34.7 74.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -68.15 -57.37 6.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.84 -23.63 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.894 HD22 ' HB1' ' A' ' 987' ' ' ALA . 0.4 OUTLIER -64.95 -67.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1036 ' ' LEU . . . . . 1.009 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.9 -41.26 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1037 ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' 1036 ' ' LEU . 51.8 t0 -37.83 -52.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' 1039 ' ' ILE . 0.3 OUTLIER -62.09 -48.83 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.83 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.0 mt -54.21 -45.38 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -36.66 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.683 ' HA ' HD21 ' A' 1044 ' ' LEU . 1.3 mt-30 -70.17 -23.61 63.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.686 ' CB ' HG21 ' A' ' 980' ' ' THR . . . -82.69 -56.96 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.3 ttt-85 -38.91 -47.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' 1045 ' ' LYS . 4.5 pp -63.19 -47.67 81.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.792 ' N ' HD12 ' A' 1044 ' ' LEU . 28.5 tttp -41.18 -28.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 29.1 ttp -88.1 -49.28 7.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.498 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.8 OUTLIER -75.51 -31.48 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.02 -49.14 66.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.981 HG22 HG22 ' A' ' 968' ' ' THR . 15.4 t -62.71 -40.47 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.666 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.3 m-85 -73.93 -25.26 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 4.2 mm-40 -67.99 -67.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -44.33 -56.05 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 925' ' ' VAL . 53.7 t -40.47 -59.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.5 p -67.0 -64.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.46 -45.17 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -73.16 -51.41 17.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.734 ' O ' HD12 ' A' ' 937' ' ' ILE . 0.9 OUTLIER -52.5 -50.91 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -43.71 65.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.16 -49.32 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.61 HG23 HD12 ' A' ' 932' ' ' LEU . 3.6 t -38.82 -42.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 933' ' ' VAL . 4.4 mp -84.06 -64.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -38.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 942' ' ' LYS . 5.8 ttm -52.41 -68.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.53 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.2 m -41.68 -30.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.7 t -67.33 -45.63 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.67 22.45 15.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.793 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.18 -52.57 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.518 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.7 OUTLIER -39.88 -54.19 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -75.0 -53.8 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -32.47 128.33 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.462 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 177.25 8.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.5 Cg_endo -75.0 -19.2 18.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -16.46 40.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.457 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -110.83 -3.78 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.793 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 3.1 t80 -93.15 -35.99 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' 1006 ' ' GLN . 0.9 OUTLIER -53.17 -47.22 96.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.04 -50.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -34.08 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 999' ' ' ILE . 13.7 t -53.74 -53.76 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 955' ' ' VAL . 1.7 mmtt -38.89 -32.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 957' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.91 -58.33 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.08 -42.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.68 -43.22 94.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -45.41 93.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.37 8.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 1.045 HD13 HD22 ' A' ' 995' ' ' LEU . 2.1 mt -49.77 -50.24 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -59.69 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 5.9 m -61.65 -39.02 89.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 969' ' ' VAL . 4.4 tt -60.84 -36.33 78.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -54.26 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.87 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.981 HG22 HG22 ' A' ' 925' ' ' VAL . 31.5 m -52.65 -44.37 66.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 965' ' ' LEU . 6.3 t -54.9 -45.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -48.25 -44.21 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.496 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 7.5 mt-10 -72.9 -22.09 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.588 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.3 OUTLIER -85.51 -27.64 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.69 -51.47 9.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.0 -36.89 2.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.532 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 7.3 t -47.02 -32.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.81 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -110.14 144.65 30.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -58.96 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.2 OUTLIER 85.51 -44.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.714 ' OG1' HG22 ' A' 1038 ' ' VAL . 11.7 t -111.65 40.88 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -83.97 -84.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 985' ' ' GLU . 0.0 OUTLIER -55.98 -54.38 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.606 ' HB3' HG21 ' A' 1038 ' ' VAL . 0.4 OUTLIER -40.62 -43.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 1.082 HD11 ' CG1' ' A' 1039 ' ' ILE . 0.3 OUTLIER -65.78 -45.05 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.6 OUTLIER -60.29 -36.67 78.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -36.16 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -65.7 -21.23 66.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.654 ' CD ' HG21 ' A' ' 969' ' ' VAL . 3.5 mm-40 -79.41 -45.76 18.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -39.19 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 990' ' ' LEU . . . . . 0.57 HD22 ' OD2' ' A' 1031 ' ' ASP . 0.7 OUTLIER -61.17 -47.12 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.751 HD21 HD23 ' A' ' 962' ' ' LEU . 39.2 tp -54.42 -53.19 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t-20 -56.78 -61.76 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.87 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.53 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.93 -30.12 70.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 1.045 HD22 HD13 ' A' ' 962' ' ' LEU . 0.4 OUTLIER -67.71 -58.13 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -45.59 -47.57 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -54.79 -36.32 64.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.531 ' C ' HD23 ' A' ' 998' ' ' LEU . 7.0 tt -71.69 -46.64 58.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.508 HD13 ' CG1' ' A' ' 955' ' ' VAL . 3.5 mm -51.11 -48.79 30.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 41.7 t30 -57.01 -54.99 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -42.54 -36.51 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -79.29 -45.53 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -28.11 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.48 -50.49 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.595 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -50.55 -27.64 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.639 ' HG3' HG23 ' A' ' 952' ' ' VAL . 20.9 tm0? -62.35 -34.09 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.9 -26.22 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.712 ' HD1' HD11 ' A' 1013 ' ' LEU . 21.6 m-85 -88.67 23.87 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.609 HG23 ' HG3' ' A' 1014 ' ' GLN . 3.1 p -109.88 -45.72 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.505 ' CE ' ' OG1' ' A' 1011 ' ' THR . 0.0 OUTLIER -68.66 -13.22 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.529 HG22 ' N ' ' A' 1012 ' ' SER . 1.2 m -73.05 -83.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.529 ' N ' HG22 ' A' 1011 ' ' THR . 0.2 OUTLIER -178.32 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.712 HD11 ' HD1' ' A' 1008 ' ' TYR . 1.9 pp -79.41 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.609 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.8 OUTLIER -77.72 -60.18 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.401 ' N ' ' OE1' ' A' 1014 ' ' GLN . 2.0 pt20 -47.9 -24.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -70.42 -61.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.564 ' HD1' HD12 ' A' 1013 ' ' LEU . 3.0 m-85 -63.23 -14.44 49.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.405 ' HE2' ' CA ' ' A' 1018 ' ' LYS . 0.0 OUTLIER -75.96 -45.18 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -13.99 61.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -73.3 -66.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' 1022 ' ' LEU . 5.4 ppp? -52.55 -33.43 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.759 HD13 ' C ' ' A' 1022 ' ' LEU . 1.6 tm? -58.37 -56.37 22.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -43.33 -48.47 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.53 -27.37 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -56.96 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.63 -35.05 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.53 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -61.13 -63.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.641 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -41.58 -40.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.7 t -73.25 -49.88 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.57 ' OD2' HD22 ' A' ' 990' ' ' LEU . 5.4 t0 -40.23 -54.34 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.35 80.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 7.1 tptt -55.78 -40.34 72.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -56.94 -45.54 82.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.552 ' O ' HG12 ' A' 1038 ' ' VAL . 5.8 tt -46.22 -54.71 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -70.82 -42.0 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -41.02 -59.56 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.714 HG22 ' OG1' ' A' ' 980' ' ' THR . 5.9 p -55.31 -40.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1039 ' ' ILE . . . . . 1.082 ' CG1' HD11 ' A' ' 984' ' ' ILE . 10.7 mt -61.46 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -40.17 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.686 ' HA ' HD21 ' A' 1044 ' ' LEU . 33.1 mt-30 -70.1 -22.74 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.609 ' HB2' ' CG2' ' A' ' 980' ' ' THR . . . -84.74 -41.22 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.591 ' O ' HD12 ' A' 1047 ' ' ILE . 0.2 OUTLIER -52.43 -44.83 65.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -66.05 -46.95 75.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.494 ' N ' HD12 ' A' 1044 ' ' LEU . 14.2 mttm -40.92 -29.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' 1044 ' ' LEU . 13.1 ttp -87.86 -55.8 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' 1043 ' ' ARG . 2.4 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 25.8 p-10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.02 -45.59 26.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -59.37 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.893 ' O ' HG23 ' A' ' 929' ' ' VAL . 91.6 t -44.06 -52.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 1.052 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -61.65 -37.91 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.68 -54.83 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -50.05 -38.34 37.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 925' ' ' VAL . 83.9 t -66.32 -62.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.1 p -44.97 -63.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.41 -28.13 13.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 936' ' ' VAL . 0.2 OUTLIER -73.6 -61.93 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' 1029 ' ' ALA . 15.8 m -60.23 -35.45 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.7 mmpt? -56.02 -40.4 73.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.22 -43.72 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 932' ' ' LEU . 6.2 t -39.03 -42.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 938' ' ' GLU . 60.2 mt -84.79 -66.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -32.47 -41.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 36.2 ttm -49.79 -71.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 48.2 m -40.96 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -48.92 69.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.6 OUTLIER -103.61 23.75 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 1.007 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.16 -52.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.509 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 2.0 tt0 -42.97 -52.32 11.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.97 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.79 133.26 0.43 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.95 177.39 8.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.04 -16.07 20.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 -25.72 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.444 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -98.14 -6.01 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 1.007 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.94 -45.78 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -48.75 -48.15 70.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.788 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.473 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 4.8 ttp -33.95 -52.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.67 HG21 ' CG ' ' A' 1002 ' ' MET . 2.3 t -62.73 -55.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.24 -34.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -58.93 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -40.27 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -62.08 -39.68 97.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -39.89 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.98 73.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.908 HD13 HD22 ' A' ' 995' ' ' LEU . 2.1 mt -55.62 -50.53 69.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -48.56 -55.26 11.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 15.0 m -62.08 -38.5 89.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.95 -41.46 67.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 8.6 mp -57.81 -58.1 9.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.23 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.459 ' C ' HG22 ' A' ' 925' ' ' VAL . 26.1 p -49.46 -45.86 47.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.427 ' H ' ' HG1' ' A' ' 968' ' ' THR . 2.7 t -57.66 -40.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.66 -33.85 35.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 975' ' ' VAL . 12.7 mt-10 -81.7 -23.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.549 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -85.1 -33.86 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 984' ' ' ILE . 0.8 OUTLIER -39.89 -50.93 5.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.537 ' HD2' ' C ' ' A' ' 971' ' ' GLU . 18.3 Cg_endo -74.98 -35.14 3.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 971' ' ' GLU . 26.3 t -48.49 -26.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.82 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.8 mm? -107.54 158.05 34.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.1 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 977' ' ' PRO . . . -47.17 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 15.4 m 68.84 26.85 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.617 ' CG2' ' HB1' ' A' 1042 ' ' ALA . 1.0 OUTLIER -116.45 -63.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 1.8 p80 -43.49 -27.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 980' ' ' THR . 1.4 ttp180 -77.69 -68.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.929 ' HB3' HG11 ' A' 1038 ' ' VAL . 15.7 mt-10 -56.75 -44.26 81.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.633 HG21 HD21 ' A' ' 973' ' ' LEU . 1.6 mp -58.02 -32.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -68.56 -39.23 81.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.21 62.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.78 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -78.66 -26.83 45.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -57.06 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.637 HD21 HD23 ' A' ' 962' ' ' LEU . 22.3 tp -51.1 -63.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.58 ' HA ' HD23 ' A' ' 995' ' ' LEU . 0.6 OUTLIER -42.79 -55.87 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.24 -70.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -53.66 -33.97 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.908 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.55 -59.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -58.31 -49.44 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.16 -29.32 30.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 998' ' ' LEU . 0.8 OUTLIER -75.6 -53.1 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.639 HD13 HG13 ' A' ' 955' ' ' VAL . 34.1 mm -44.48 -41.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.449 ' CG ' HD11 ' A' 1004 ' ' LEU . 52.8 t30 -59.45 -61.59 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' 1004 ' ' LEU . 1.4 mptt -47.5 -23.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.67 ' CG ' HG21 ' A' ' 955' ' ' VAL . 0.5 OUTLIER -87.12 -53.04 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.2 mtpt -52.38 -29.72 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' 1001 ' ' LYS . 1.5 mt -78.03 -51.06 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' 1009 ' ' VAL . . . -39.28 -48.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.484 ' HG3' HG23 ' A' ' 952' ' ' VAL . 5.3 tm0? -39.18 -46.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.47 -34.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 54.9 m-85 -87.65 39.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' 1014 ' ' GLN . 4.5 t -129.27 -48.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -36.36 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' 1013 ' ' LEU . 9.9 t -104.4 161.76 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -44.12 -32.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.766 ' HB2' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -40.25 -29.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' 1009 ' ' VAL . 1.4 tt0 -35.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 20.3 pt20 -37.09 -40.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.672 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.3 OUTLIER -54.7 -56.4 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.662 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 6.1 m-85 -67.5 -30.42 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.412 ' HD2' HG23 ' A' ' 943' ' ' ILE . 12.0 mmtt -53.86 -39.13 65.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1019 ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -71.69 -44.28 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -52.16 -59.14 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.477 ' HG2' ' CD2' ' A' ' 998' ' ' LEU . 0.0 OUTLIER -49.65 -41.8 43.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' 1022 ' ' LEU . 3.3 tm? -57.74 -43.26 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -49.54 -49.62 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.42 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -51.43 -31.53 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.21 -56.89 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.73 76.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' 1028 ' ' LEU . 9.3 mt -55.06 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.621 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -38.6 -42.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -69.03 -53.84 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -41.52 -63.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.507 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -52.86 -32.94 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.0 OUTLIER -68.9 -57.34 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.61 -30.92 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.19 -68.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1036 ' ' LEU . . . . . 1.052 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -63.41 -40.04 96.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1037 ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' 1036 ' ' LEU . 28.1 t0 -39.01 -53.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.929 HG11 ' HB3' ' A' ' 983' ' ' GLU . 76.8 t -60.3 -43.47 93.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.82 HG23 ' HG ' ' A' ' 976' ' ' LEU . 11.3 mt -56.38 -46.88 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -49.69 -38.07 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.53 ' HA ' HD21 ' A' 1044 ' ' LEU . 7.7 mt-30 -77.39 -23.3 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.617 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -80.65 -46.17 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -51.94 -49.22 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.851 HD12 ' N ' ' A' 1045 ' ' LYS . 4.4 pp -60.14 -42.9 95.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.851 ' N ' HD12 ' A' 1044 ' ' LEU . 1.1 tptp -40.06 -31.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.1 OUTLIER -82.81 -50.84 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.513 ' HB3' HG11 ' A' ' 975' ' ' VAL . 11.8 p-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -76.04 -45.96 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -63.78 -54.35 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.871 ' O ' HG23 ' A' ' 929' ' ' VAL . 23.3 t -49.51 -54.58 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.963 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -61.38 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.13 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.639 ' HB3' HD12 ' A' ' 965' ' ' LEU . 1.1 t-20 -53.01 -24.12 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 925' ' ' VAL . 37.4 t -72.97 -39.29 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 926' ' ' TYR . 45.8 p -83.58 -29.09 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -62.51 -60.37 7.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.978 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -60.57 -40.31 91.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.978 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.3 t -65.22 -45.83 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -55.37 -48.39 74.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.64 -45.1 72.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 932' ' ' LEU . 1.6 t -37.62 -41.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 938' ' ' GLU . 9.7 mt -84.8 -67.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -36.81 -42.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.92 -62.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.785 ' CB ' HD23 ' A' 1022 ' ' LEU . 0.1 OUTLIER -50.16 -38.71 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -47.19 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.745 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.36 20.61 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 940' ' ' SER . 1.3 mt -96.51 -61.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.563 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -47.1 -48.32 54.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -74.98 -13.93 21.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -89.44 135.09 31.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.441 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.99 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -74.98 -20.99 16.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -11.05 56.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -116.88 -3.51 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' 1002 ' ' MET . 1.1 t80 -92.14 -41.24 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -48.64 -47.83 70.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.03 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.543 ' HE1' ' HA ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -33.57 -52.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 999' ' ' ILE . 0.4 OUTLIER -65.62 -50.52 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.49 ' N ' ' CG1' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -40.17 -35.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.19 -54.56 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -42.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -59.39 -44.37 96.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -50.9 71.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.96 55.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 995' ' ' LEU . 5.3 mt -55.78 -52.8 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 963' ' ' ARG . . . . . 0.528 ' HA ' HD23 ' A' ' 966' ' ' LEU . 0.0 OUTLIER -49.19 -55.7 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.822 ' O ' HG23 ' A' ' 968' ' ' THR . 3.5 m -50.77 -34.06 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.9 OUTLIER -55.41 -51.8 65.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 963' ' ' ARG . 2.8 mm? -48.43 -44.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -67.08 -63.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 964' ' ' THR . 73.2 p -44.17 -42.6 6.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 965' ' ' LEU . 57.2 t -55.62 -47.87 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.934 ' HA ' HD12 ' A' ' 973' ' ' LEU . 5.1 t0 -53.05 -22.4 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.489 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 4.9 tt0 -79.88 -21.3 44.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.513 ' OG ' HG11 ' A' ' 925' ' ' VAL . 0.0 OUTLIER -89.14 -15.24 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.934 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.3 OUTLIER -58.24 -50.34 88.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.03 -40.51 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 922' ' ' ASN . 20.9 t -58.56 -25.75 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.3 OUTLIER -105.67 164.06 15.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.58 5.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.33 53.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.71 7.62 3.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.912 HG22 ' CB ' ' A' 1042 ' ' ALA . 1.1 p -117.95 39.52 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 984' ' ' ILE . 30.3 m170 -84.46 -110.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -44.32 -33.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.793 ' HB3' HG11 ' A' 1038 ' ' VAL . 2.5 mt-10 -60.91 -42.72 98.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.802 HD11 HG13 ' A' 1039 ' ' ILE . 22.6 mm -73.29 -38.16 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.27 -27.4 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -43.65 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.01 46.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.526 ' OE1' HD13 ' A' ' 966' ' ' LEU . 1.6 mm100 -76.51 -51.06 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -50.98 67.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 995' ' ' LEU . 26.7 tp -45.44 -67.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.402 ' HA ' HD23 ' A' ' 995' ' ' LEU . 32.6 t-20 -50.5 -61.66 2.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 23.2 t -41.13 -60.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.551 ' CG ' HD21 ' A' 1028 ' ' LEU . 0.9 OUTLIER -59.4 -38.72 81.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -53.27 -57.74 9.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.83 -46.01 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.95 -33.77 57.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 8.5 tt -75.8 -50.64 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.599 HD13 HG22 ' A' ' 955' ' ' VAL . 21.2 mm -53.54 -50.62 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 11.9 t30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 2.3 tptt -52.96 -47.74 67.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -62.66 -51.12 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -42.42 -42.43 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' 1008 ' ' TYR . 8.1 mt -77.51 -36.64 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' 1002 ' ' MET . . . -51.97 -21.6 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -91.6 -24.1 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1007 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.9 OUTLIER -95.9 -11.11 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.804 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 0.2 OUTLIER -102.04 -37.67 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' 1011 ' ' THR . 3.0 p -41.13 -42.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.748 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -36.76 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.748 HG23 ' CE ' ' A' 1010 ' ' MET . 73.1 p -96.96 -139.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 -4.56 10.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' 1016 ' ' GLU . 3.3 mm? -65.68 -11.62 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.447 ' OE1' ' NE2' ' A' ' 944' ' ' GLN . 1.2 tt0 -36.86 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.71 -32.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -66.84 -54.96 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.804 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 1.4 m-85 -69.51 -24.81 63.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.43 ' HE3' HG22 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -62.13 -42.34 99.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -32.85 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -56.84 -61.74 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 943' ' ' ILE . 13.4 ptm -59.29 -25.67 64.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.785 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.4 tm? -67.69 -47.48 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.8 m -50.7 -47.16 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.75 93.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.72 -31.15 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -57.27 8.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -68.69 -35.58 77.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.551 HD21 ' CG ' ' A' ' 994' ' ' ASP . 0.2 OUTLIER -59.28 -63.63 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.518 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.7 -44.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.85 -45.17 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' 1028 ' ' LEU . 3.5 t70 -41.8 -55.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.69 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -56.51 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -43.28 -42.0 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 3.8 tt -48.76 -65.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.963 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.59 -39.21 91.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -43.15 -44.23 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 983' ' ' GLU . 67.7 t -68.86 -38.46 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.802 HG13 HD11 ' A' ' 984' ' ' ILE . 4.5 mt -56.87 -51.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.68 -43.4 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.769 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.0 OUTLIER -70.84 -29.35 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.912 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -72.57 -48.62 38.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.449 ' CA ' HD13 ' A' ' 976' ' ' LEU . 0.0 OUTLIER -46.01 -64.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' 1041 ' ' GLN . 2.2 pp -43.38 -44.18 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.567 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -41.46 -31.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 30.8 ttp -88.11 -53.24 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.1 p30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.01 -36.31 61.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -55.22 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 968' ' ' THR . 11.9 t -57.69 -45.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.919 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -65.37 -29.47 70.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.67 -64.31 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.591 ' OD1' HG21 ' A' ' 968' ' ' THR . 18.9 m120 -44.48 -51.02 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.592 ' O ' HD13 ' A' ' 932' ' ' LEU . 3.9 t -43.72 -56.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 926' ' ' TYR . 81.3 p -70.24 -24.06 63.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -61.73 -76.16 0.26 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.902 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -50.7 -39.93 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.902 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.5 t -60.53 -58.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.85 -35.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -80.74 -47.04 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.9 t -38.33 -40.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.0 mt -82.44 -68.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -37.0 -46.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.471 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 40.0 mtp -44.7 -60.25 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.579 ' HB2' HD23 ' A' 1022 ' ' LEU . 74.3 p -46.82 -39.03 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.911 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -88.35 29.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.2 OUTLIER -93.89 -60.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.561 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -41.89 -49.41 10.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.02 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.84 124.52 0.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 951' ' ' TYR . 18.1 Cg_endo -75.07 177.74 8.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.99 -13.31 21.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.45 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -105.17 -11.08 16.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 947' ' ' PRO . 16.6 t80 -90.79 -40.1 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.63 -48.79 48.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.451 ' CE ' ' HE3' ' A' ' 942' ' ' LYS . 2.8 ttm -34.85 -54.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' 1002 ' ' MET . 37.2 t -65.65 -53.41 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -43.31 -38.75 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 957' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.3 OUTLIER -59.14 -62.15 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -39.82 -39.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -58.55 -50.55 65.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 960' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.5 OUTLIER -52.45 -49.47 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 961' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 932' ' ' LEU . . . -51.58 -54.2 30.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.791 HD13 HD13 ' A' ' 995' ' ' LEU . 2.5 mt -55.73 -49.33 73.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -53.59 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 4.7 m -62.0 -41.91 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.985 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.0 OUTLIER -51.7 -50.43 60.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 962' ' ' LEU . 9.9 mp -47.71 -57.43 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.03 84.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.855 HG22 HG22 ' A' ' 925' ' ' VAL . 10.2 m -53.87 -44.82 70.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 965' ' ' LEU . 22.3 t -55.35 -46.27 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 40.5 t0 -49.1 -39.23 27.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 975' ' ' VAL . 6.4 mt-10 -73.46 -24.0 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.993 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.33 -30.56 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.585 HD22 ' CE1' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -38.4 -52.26 3.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.95 -36.9 2.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.792 ' C ' HD13 ' A' ' 976' ' ' LEU . 55.1 t -47.99 -33.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 972' ' ' SER . 0.0 OUTLIER -102.8 151.62 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 979' ' ' SER . . . -53.05 111.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 978' ' ' ALA . 10.1 p 167.52 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.961 ' OG1' HG12 ' A' 1038 ' ' VAL . 5.4 t -108.6 0.15 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.585 ' CE1' HD22 ' A' ' 973' ' ' LEU . 7.9 m-70 -49.92 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.71 -67.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.786 ' CB ' HG11 ' A' 1038 ' ' VAL . 38.8 mt-10 -45.89 -43.54 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.938 HD11 HG12 ' A' 1039 ' ' ILE . 2.8 mt -62.63 -41.75 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -45.43 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -21.0 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.453 ' NE2' HG21 ' A' ' 969' ' ' VAL . 2.5 mm-40 -73.67 -43.86 58.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -63.23 -27.34 69.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 990' ' ' LEU . . . . . 0.533 HD22 ' OD1' ' A' 1031 ' ' ASP . 0.5 OUTLIER -72.24 -58.5 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.663 HD21 HD23 ' A' ' 962' ' ' LEU . 40.8 tp -56.89 -56.55 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 995' ' ' LEU . 16.3 t30 -46.1 -45.46 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.76 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.554 ' HB3' HD21 ' A' 1028 ' ' LEU . 1.8 m-20 -49.28 -30.52 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.791 HD13 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -59.43 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.59 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -45.39 -34.08 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.573 HD12 HG13 ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.38 -51.66 28.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.411 HD13 HG12 ' A' ' 955' ' ' VAL . 17.7 mm -56.11 -49.72 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.67 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -45.38 4.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.642 ' CB ' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -63.01 -47.88 81.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -53.61 -22.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' 1008 ' ' TYR . 12.4 mt -91.54 -44.03 9.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -52.86 -19.39 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.472 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 2.3 tt0 -88.06 -28.45 21.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1007 ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' 1004 ' ' LEU . 2.4 tm0? -100.25 -4.14 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.493 ' CZ ' ' OH ' ' A' 1017 ' ' TYR . 10.5 m-85 -112.05 -8.66 14.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1011 ' ' THR . 2.4 p -73.42 -38.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.555 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.555 HG23 ' CE ' ' A' 1010 ' ' MET . 62.3 p -104.37 -108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.455 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -156.42 23.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' 1014 ' ' GLN . 1.2 mm? -81.12 -25.92 36.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -37.53 -59.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -42.6 -50.05 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.7 -55.22 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.493 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 17.6 m-85 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 8.3 mttm -48.15 -36.82 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -30.18 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1020 ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' 1017 ' ' TYR . 76.6 mm-40 -62.47 -60.7 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 4.6 ppp? -58.31 -31.17 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.579 HD23 ' HB2' ' A' ' 940' ' ' SER . 2.7 tm? -56.6 -50.1 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.5 m -56.27 -41.49 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.84 81.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -61.66 -31.76 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -72.72 -50.91 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.588 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.31 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 994' ' ' ASP . 10.3 mt -55.62 -67.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.37 -45.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -67.64 -48.45 76.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.533 ' OD1' HD22 ' A' ' 990' ' ' LEU . 26.0 m-20 -49.5 -57.59 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.62 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' 1035 ' ' LEU . 3.0 tptt -69.7 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' 1038 ' ' VAL . 9.2 p30 -45.16 -26.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' 1034 ' ' ASN . 5.9 tt -62.28 -67.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.919 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -41.02 -52.03 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.961 HG12 ' OG1' ' A' ' 980' ' ' THR . 84.5 t -63.44 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.956 HG23 ' HG ' ' A' ' 976' ' ' LEU . 54.6 mt -59.84 -43.13 91.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1040 ' ' ASP . . . . . 0.542 ' O ' ' CD2' ' A' 1044 ' ' LEU . 1.1 t0 -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -62.24 -25.43 67.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -75.67 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 1042 ' ' ALA . 4.1 ttp-105 -35.28 -66.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' 1040 ' ' ASP . 0.2 OUTLIER -47.91 -47.07 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -44.22 -26.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -84.96 -47.24 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 12.8 p30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 927' ' ' GLU . 17.7 t0 -77.63 -39.9 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -56.55 -48.66 76.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 968' ' ' THR . 61.2 t -56.28 -46.74 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.716 ' CD1' HD11 ' A' 1036 ' ' LEU . 5.6 m-30 -71.19 -25.39 62.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 923' ' ' ASP . 13.6 mm-40 -71.68 -42.72 67.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -53.62 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.591 HG22 HD12 ' A' ' 965' ' ' LEU . 9.9 t -48.52 -52.04 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.2 p -59.48 -57.43 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.3 -25.08 25.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.795 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -75.68 -59.88 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.561 ' O ' HD12 ' A' ' 937' ' ' ILE . 29.4 m -63.3 -35.19 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -38.32 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -86.45 -45.64 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 933' ' ' VAL . 0.4 OUTLIER -38.87 -40.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.561 HD12 ' O ' ' A' ' 933' ' ' VAL . 5.7 mt -84.44 -67.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.62 -42.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.505 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.4 mtp -45.22 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.562 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.0 m -41.54 -32.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 941' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 0.6 OUTLIER -61.0 -53.0 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.815 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.15 28.82 6.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -93.64 -51.22 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -42.98 -52.97 10.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.815 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.5 125.79 0.51 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.437 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.05 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.05 -15.92 20.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 -18.09 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.423 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -110.23 -5.92 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.693 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 9.2 t80 -92.2 -41.11 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.85 -48.67 50.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.99 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.02 -53.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' A' 1002 ' ' MET . 29.4 t -68.69 -52.79 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -40.69 -33.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.79 -57.18 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.473 ' O ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.56 -38.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -62.68 -39.39 97.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -37.86 87.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.57 -56.92 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.881 ' O ' HD12 ' A' ' 966' ' ' LEU . 4.2 mm? -50.42 -48.18 56.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -47.06 -51.55 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 965' ' ' LEU . 4.2 m -64.49 -52.26 58.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.0 OUTLIER -39.15 -39.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 962' ' ' LEU . 1.4 mp -63.49 -62.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -49.53 -58.54 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 968' ' ' THR . 72.7 p -51.39 -41.48 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 965' ' ' LEU . 3.1 t -61.36 -42.98 95.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.1 t0 -48.89 -38.06 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 975' ' ' VAL . 27.7 mt-10 -75.72 -25.01 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.489 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 1.5 t -85.0 -27.01 26.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.1 OUTLIER -42.49 -52.93 9.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -35.54 3.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.792 HG12 HD22 ' A' ' 976' ' ' LEU . 40.2 t -47.22 -33.04 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.792 HD22 HG12 ' A' ' 975' ' ' VAL . 0.9 OUTLIER -106.92 148.32 36.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.657 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.03 158.76 41.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.11 176.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.5 OUTLIER 87.61 -17.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.872 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 2.6 t -116.25 -12.98 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 982' ' ' ARG . 14.8 m170 -67.83 -56.65 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 13.3 mtm-85 -37.39 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.476 ' HB3' HG21 ' A' 1038 ' ' VAL . 1.4 tt0 -50.72 -41.83 56.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.835 HD11 ' CG1' ' A' 1039 ' ' ILE . 4.8 mt -53.64 -45.78 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -47.96 73.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.6 mtm -73.58 -29.28 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.87 -24.54 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.51 -44.72 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.11 -37.98 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -59.37 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.606 HD12 HD22 ' A' 1028 ' ' LEU . 28.7 tp -53.7 -43.94 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 995' ' ' LEU . 13.4 m-80 -63.13 -43.03 99.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.662 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.3 m-20 -53.96 -31.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -59.13 -57.75 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.86 -53.91 49.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.32 -31.73 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 5.5 tt -71.21 -50.87 28.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.503 HD13 ' CG1' ' A' ' 955' ' ' VAL . 26.5 mm -48.85 -48.78 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -62.67 -53.67 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.645 ' HA ' HD12 ' A' 1004 ' ' LEU . 6.5 mmmt -41.16 -42.61 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.654 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.7 OUTLIER -65.62 -47.46 75.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -56.11 -26.64 50.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' 1001 ' ' LYS . 7.1 mt -83.95 -55.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1005 ' ' ALA . . . . . 1.041 ' O ' HG23 ' A' 1009 ' ' VAL . . . -44.71 -45.14 9.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.404 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.8 OUTLIER -41.95 -43.96 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1007 ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' 1009 ' ' VAL . 4.9 tt0 -74.48 -75.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.705 ' CZ ' ' CE1' ' A' 1017 ' ' TYR . 49.6 m-85 -28.86 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1009 ' ' VAL . . . . . 1.041 HG23 ' O ' ' A' 1005 ' ' ALA . 53.7 t -36.36 -52.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -29.43 -71.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.739 HG23 ' H ' ' A' 1013 ' ' LEU . 15.3 t -71.12 -145.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.602 ' N ' HG23 ' A' 1011 ' ' THR . 60.7 p -112.6 -24.46 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.739 ' H ' HG23 ' A' 1011 ' ' THR . 1.0 OUTLIER -38.86 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.885 ' NE2' HG22 ' A' 1009 ' ' VAL . 20.9 tt0 -38.25 -55.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' 1012 ' ' SER . 0.6 OUTLIER -38.64 -42.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.424 ' CB ' HD23 ' A' 1013 ' ' LEU . 6.1 tt0 -61.3 -54.11 48.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.705 ' CE1' ' CZ ' ' A' 1008 ' ' TYR . 1.7 m-85 -59.08 -35.85 74.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.4 ' HE3' ' CD ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -50.57 -48.41 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -52.51 -52.85 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.464 ' SD ' ' CE ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -47.04 -52.49 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.76 -48.48 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.62 89.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.53 -33.93 10.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.56 -53.71 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.31 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.662 HD21 ' CB ' ' A' ' 994' ' ' ASP . 9.5 mt -58.2 -66.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -38.67 -39.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 45.8 t -74.4 -52.2 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.458 ' OD2' HD23 ' A' 1028 ' ' LEU . 96.1 m-20 -42.18 -59.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -57.08 -33.63 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.7 OUTLIER -66.49 -50.03 64.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -57.5 -19.66 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.475 ' O ' HG12 ' A' 1038 ' ' VAL . 1.5 tt -69.16 -58.29 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.13 -37.28 69.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.9 t70 -43.13 -63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.782 HG22 ' OG1' ' A' ' 980' ' ' THR . 7.4 p -53.81 -42.95 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.835 ' CG1' HD11 ' A' ' 984' ' ' ILE . 12.8 mt -55.22 -44.7 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -39.61 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.702 ' HA ' HD21 ' A' 1044 ' ' LEU . 9.6 tt0 -69.23 -21.82 63.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.872 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -84.98 -56.51 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.417 ' O ' HD12 ' A' 1047 ' ' ILE . 1.6 ttt180 -37.93 -43.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' 1045 ' ' LYS . 4.3 pp -67.04 -49.48 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.797 ' N ' HD12 ' A' 1044 ' ' LEU . 26.2 mttm -40.24 -29.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' 1044 ' ' LEU . 2.9 tmm? -87.03 -54.4 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' 1043 ' ' ARG . 2.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 14.6 t30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.77 -49.0 12.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.25 -55.23 5.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 968' ' ' THR . 73.1 t -61.82 -70.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.828 ' CD1' HD21 ' A' 1036 ' ' LEU . 5.2 m-30 -38.01 -36.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 928' ' ' ASN . 31.0 mm-40 -65.26 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.517 ' HB3' HD13 ' A' ' 965' ' ' LEU . 3.2 t-20 -39.47 -42.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' 1036 ' ' LEU . 76.3 t -55.4 -64.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 934' ' ' LYS . 80.6 p -55.65 -47.95 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.56 -45.58 46.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.1 OUTLIER -74.18 -53.3 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 932' ' ' LEU . 0.5 OUTLIER -55.15 -31.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.0 OUTLIER -61.37 -47.87 83.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.54 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.627 HG23 HD12 ' A' ' 932' ' ' LEU . 2.9 t -40.33 -45.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.4 mt -83.86 -65.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -36.07 -46.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 943' ' ' ILE . 75.7 mtp -45.14 -63.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.494 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 51.2 m -42.9 -41.34 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 5.0 t -58.44 -65.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.926 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -88.09 31.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.1 OUTLIER -95.22 -59.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.577 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -43.55 -49.21 18.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.1 Cg_endo -75.01 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.926 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.41 126.58 0.88 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.445 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.07 177.04 9.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.05 -14.52 21.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.03 -16.68 27.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.454 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -112.83 -10.07 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 3.6 t80 -91.85 -40.01 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -49.41 -47.72 76.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.97 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 953' ' ' PRO . 10.2 ttm -34.49 -51.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' 1002 ' ' MET . 13.5 t -71.16 -52.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -41.33 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -56.0 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.665 HG12 ' CD1' ' A' ' 962' ' ' LEU . 74.9 t -40.47 -58.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -43.87 -49.0 7.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -54.88 29.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.09 -58.94 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 932' ' ' LEU . 1.2 mp -53.09 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -48.05 -55.95 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 3.3 m -58.98 -40.48 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 1.033 ' O ' HG23 ' A' ' 969' ' ' VAL . 59.1 tp -55.05 -53.54 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 962' ' ' LEU . 11.0 mp -42.46 -55.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.13 -48.73 80.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.888 HG22 HG22 ' A' ' 925' ' ' VAL . 20.4 m -54.58 -42.65 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 1.033 HG23 ' O ' ' A' ' 965' ' ' LEU . 9.3 t -56.62 -46.48 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.71 -39.1 23.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 22.6 mt-10 -76.81 -23.82 52.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.554 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.88 -26.16 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.522 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.03 -50.82 13.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -35.36 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 4.4 t -46.86 -32.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.772 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -109.68 146.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.828 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.3 Cg_endo -74.99 161.92 38.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.24 175.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.2 t 87.59 -17.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.913 HG23 HD12 ' A' ' 984' ' ' ILE . 5.7 t -116.25 -17.21 10.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 978' ' ' ALA . 15.8 m170 -62.49 -56.5 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 981' ' ' HIS . 10.7 ttm180 -38.24 -74.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.448 ' HB2' HG11 ' A' 1038 ' ' VAL . 25.7 mt-10 -50.62 -40.35 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.913 HD12 HG23 ' A' ' 980' ' ' THR . 7.2 mt -55.1 -52.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -42.7 61.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.1 mtt -71.19 -28.84 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.52 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.87 -49.84 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -60.59 -34.0 73.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -47.72 74.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.7 HD21 HD23 ' A' ' 962' ' ' LEU . 41.7 tp -57.55 -60.39 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -47.12 -53.46 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -68.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -38.13 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.703 ' CG ' HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.78 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.27 -46.28 24.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.8 -28.89 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 995' ' ' LEU . 2.5 tt -79.54 -48.91 13.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.509 HD13 HG12 ' A' ' 955' ' ' VAL . 4.8 mm -57.46 -55.12 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -52.37 -49.56 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -51.76 -43.01 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.857 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -68.13 -40.48 82.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -55.12 -27.79 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.5 mt -95.96 -33.79 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' 1002 ' ' MET . . . -68.36 -8.29 38.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 21.0 tm0? -79.37 -35.11 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1007 ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' 1009 ' ' VAL . 31.3 tt0 -98.13 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1008 ' ' TYR . . . . . 1.008 ' O ' HG22 ' A' 1011 ' ' THR . 12.6 m-85 -37.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' 1007 ' ' GLN . 2.9 p -41.15 -40.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.53 ' CE ' ' O ' ' A' 1010 ' ' MET . 0.0 OUTLIER -72.74 52.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1011 ' ' THR . . . . . 1.008 HG22 ' O ' ' A' 1008 ' ' TYR . 6.0 t -175.37 173.91 2.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' 1015 ' ' GLN . 8.8 m -66.34 -31.8 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.679 ' H ' HG23 ' A' 1011 ' ' THR . 1.5 mt -51.0 -29.16 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' 1013 ' ' LEU . 3.6 tt0 -38.11 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' 1012 ' ' SER . 4.1 pt20 -47.58 -38.8 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.16 -50.59 71.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.544 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 2.5 m-85 -59.34 -34.86 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 943' ' ' ILE . 8.9 mptt -54.56 -47.33 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -57.07 -44.65 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -51.62 -47.66 63.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.1 tmm? -51.21 -44.8 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -38.66 82.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.8 m -49.03 -49.34 41.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.49 13.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.436 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -47.8 -26.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 69.6 t60 -73.97 -58.28 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1027 ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' 1031 ' ' ASP . . . -63.64 -35.14 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' 1028 ' ' LEU . 7.0 mt -49.04 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' 1033 ' ' LYS . . . -50.4 -35.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' 1033 ' ' LYS . 4.8 t -70.42 -72.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' 1027 ' ' ALA . 0.9 OUTLIER -45.82 -40.28 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.6 84.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' 1029 ' ' ALA . 15.9 mmtt -72.02 -51.55 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.816 ' O ' HG23 ' A' 1038 ' ' VAL . 14.3 t-20 -49.95 -31.53 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.87 -67.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.18 -42.31 99.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -42.01 -44.68 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.822 HG12 ' OG1' ' A' ' 980' ' ' THR . 90.3 t -65.03 -43.44 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.772 HG23 ' HG ' ' A' ' 976' ' ' LEU . 7.8 mt -54.5 -47.21 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.76 -40.74 60.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.821 ' HA ' HD21 ' A' 1044 ' ' LEU . 10.4 mt-30 -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.828 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -76.14 -58.15 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -35.6 -58.71 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.821 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.7 pp -51.79 -49.03 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.489 ' N ' HD12 ' A' 1044 ' ' LEU . 0.1 OUTLIER -46.92 -27.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.3 ttp -85.45 -49.0 8.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.498 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.8 p30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -66.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -45.79 -50.52 13.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.993 HG21 ' HG ' ' A' ' 972' ' ' SER . 46.7 t -54.92 -62.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.978 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -53.4 -35.11 60.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 930' ' ' THR . 11.0 mm-40 -70.91 -50.33 36.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.34 -49.29 77.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 925' ' ' VAL . 74.3 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.8 p -54.89 -54.99 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.86 -32.19 55.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -68.8 -59.49 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.433 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 35.0 m -62.28 -40.54 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.1 OUTLIER -48.54 -39.2 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.42 -45.05 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.449 HG23 HD12 ' A' ' 932' ' ' LEU . 5.3 t -37.38 -42.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 45.8 mt -83.91 -67.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -31.98 -45.69 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 3.3 mtp -48.49 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 8.2 p -37.38 -34.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.0 t -63.78 -52.67 59.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.925 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -102.54 25.89 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.539 HG12 ' CE ' ' A' ' 954' ' ' MET . 0.1 OUTLIER -92.95 -51.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.4 OUTLIER -48.18 -50.99 52.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.04 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.925 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.56 124.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.459 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 177.12 9.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.01 -16.78 19.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.03 -14.21 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.447 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -114.98 -6.6 12.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.631 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 8.9 t80 -90.83 -43.08 10.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.75 HG23 ' CD ' ' A' 1006 ' ' GLN . 0.9 OUTLIER -47.2 -48.22 55.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.06 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.539 ' CE ' HG12 ' A' ' 943' ' ' ILE . 10.8 ttm -38.38 -66.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.547 ' CG1' HD13 ' A' ' 999' ' ' ILE . 7.8 t -56.19 -51.12 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 15.0 mmmt -42.85 -41.35 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 995' ' ' LEU . 73.6 t -44.24 -39.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -43.49 99.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -43.28 95.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.95 95.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.814 HD13 ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.57 -40.09 96.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 963' ' ' ARG . . . . . 0.416 ' N ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -52.46 -54.56 30.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 968' ' ' THR . 8.3 m -57.61 -49.44 76.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.809 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.0 OUTLIER -39.12 -48.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -48.49 -57.74 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.491 ' CG2' HG22 ' A' ' 964' ' ' THR . 59.7 p -51.41 -45.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 965' ' ' LEU . 22.7 t -55.43 -40.75 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 7.0 t0 -54.32 -38.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.4 mt-10 -71.57 -25.19 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.993 ' HG ' HG21 ' A' ' 925' ' ' VAL . 0.3 OUTLIER -84.51 -30.47 25.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.1 OUTLIER -37.32 -53.03 2.29 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.0 -37.43 2.03 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 971' ' ' GLU . 54.1 t -47.82 -32.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 972' ' ' SER . 0.5 OUTLIER -107.59 158.48 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 979' ' ' SER . 18.3 Cg_endo -74.99 145.25 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -42.17 -28.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 977' ' ' PRO . 28.1 t -37.62 -34.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.73 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 3.6 t -116.57 54.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.1 OUTLIER -81.86 -83.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 985' ' ' GLU . 15.0 tpp180 -44.59 -62.16 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.569 ' HB3' HG21 ' A' 1038 ' ' VAL . 44.6 mt-10 -36.31 -53.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.877 HD11 HG12 ' A' 1039 ' ' ILE . 1.5 mt -58.01 -48.78 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 982' ' ' ARG . 1.0 OUTLIER -60.64 -36.97 79.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.3 mtp -77.01 -27.85 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.42 70.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.501 ' CD ' HG11 ' A' ' 969' ' ' VAL . 34.2 mt-30 -71.28 -51.7 23.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -25.02 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -55.37 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.13 -58.6 6.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -49.46 -52.14 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.35 -68.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.678 ' CB ' HD21 ' A' 1028 ' ' LEU . 4.1 m-20 -50.42 -42.39 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.814 ' HG ' HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -40.12 -48.25 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.22 -44.58 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.99 -39.11 88.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.547 HD13 ' CG1' ' A' ' 955' ' ' VAL . 2.8 mm -62.93 -62.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.58 -34.28 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -56.83 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.53 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -55.66 -17.93 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.3 mtpt -75.31 -38.86 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.94 -43.49 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.631 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -54.0 -31.31 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.75 ' CD ' HG23 ' A' ' 952' ' ' VAL . 5.0 mm100 -60.44 -34.27 73.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.88 -30.04 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.604 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 21.0 m-85 -88.44 32.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' 1011 ' ' THR . 2.5 p -117.76 -40.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -65.14 65.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER 171.44 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.5 p 155.75 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.469 ' H ' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -39.93 -30.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' 1012 ' ' SER . 47.9 tp60 -38.27 -57.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -39.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 1013 ' ' LEU . 26.7 tt0 -69.63 -67.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.604 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 18.5 m-85 -55.19 -17.79 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.48 ' NZ ' HG21 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -65.96 -58.85 4.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1019 ' ' LYS . . . . . 0.406 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 0.0 OUTLIER -50.38 -39.65 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.458 ' HE1' HD21 ' A' ' 998' ' ' LEU . 10.2 mmm -51.42 -41.03 60.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' 1025 ' ' ALA . 0.2 OUTLIER -63.98 -34.57 78.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -52.81 -51.74 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.18 62.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' 1022 ' ' LEU . . . -59.21 -32.49 69.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -53.42 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.89 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.678 HD21 ' CB ' ' A' ' 994' ' ' ASP . 9.0 mt -56.15 -66.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.07 -42.1 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.8 t -70.82 -51.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' 1028 ' ' LEU . 1.7 m-20 -43.64 -61.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -53.52 -31.92 48.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.7 tptt -69.37 -54.35 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -51.83 -31.03 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' 1038 ' ' VAL . 10.3 tt -58.65 -61.08 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.978 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.13 -40.84 82.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -44.1 -59.91 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' 1035 ' ' LEU . 0.5 OUTLIER -54.26 -35.74 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.877 HG12 HD11 ' A' ' 984' ' ' ILE . 5.3 mt -67.15 -46.34 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -43.51 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.64 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.0 OUTLIER -67.81 -21.85 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.73 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -87.63 -58.15 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' 1047 ' ' ILE . 17.1 ttp180 -38.79 -37.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' 1045 ' ' LYS . 4.6 pp -74.74 -47.95 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.832 ' N ' HD12 ' A' 1044 ' ' LEU . 0.3 OUTLIER -38.95 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' 1044 ' ' LEU . 1.0 OUTLIER -79.44 -54.49 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' 1043 ' ' ARG . 2.4 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.2 OUTLIER -80.17 -48.32 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -61.19 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.62 HG21 ' HB2' ' A' ' 972' ' ' SER . 60.8 t -50.87 -66.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 1.145 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.6 m-30 -47.27 -32.78 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 923' ' ' ASP . 4.2 tm-20 -72.09 -64.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -49.04 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.563 HG22 HD12 ' A' ' 965' ' ' LEU . 80.4 t -50.2 -56.18 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 931' ' ' GLY . 6.1 p -66.28 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.71 -53.33 0.64 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -63.38 -51.26 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.818 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.6 t -55.53 -61.98 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 933' ' ' VAL . 10.1 mtpt -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 932' ' ' LEU . . . -68.46 -51.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 932' ' ' LEU . 84.1 t -39.23 -39.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' 1029 ' ' ALA . 1.8 mm -84.55 -66.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -35.98 -45.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 943' ' ' ILE . 5.7 ttp -50.97 -59.58 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.556 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.6 p -45.48 -36.43 4.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -33.07 75.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.838 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -118.66 24.63 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 1.038 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -94.71 -48.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.2 tt0 -47.02 -52.52 33.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.5 Cg_endo -75.0 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.37 129.23 0.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 176.7 9.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.529 ' HB3' HG11 ' A' 1009 ' ' VAL . 18.3 Cg_endo -75.02 -17.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.98 -14.38 39.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -113.82 -10.79 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 1.038 ' CE1' HD11 ' A' ' 943' ' ' ILE . 11.9 t80 -91.06 -34.18 15.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.577 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.65 -47.84 83.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -29.59 -61.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' 1002 ' ' MET . 2.2 t -63.16 -53.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -48.98 79.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.767 HG12 HD21 ' A' ' 995' ' ' LEU . 37.2 t -50.27 -46.18 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.9 88.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -40.26 87.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 961' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 958' ' ' VAL . . . -53.07 -43.52 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 995' ' ' LEU . 72.2 mt -54.93 -57.11 12.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -47.02 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 968' ' ' THR . 30.3 m -73.24 -50.01 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.834 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.1 OUTLIER -47.22 -39.9 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -60.31 -62.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.28 -57.03 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 964' ' ' THR . 72.2 p -47.23 -47.16 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 965' ' ' LEU . 41.5 t -57.29 -40.42 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.419 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t0 -50.02 -37.96 35.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.9 mt-10 -75.76 -23.63 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.62 ' HB2' HG21 ' A' ' 925' ' ' VAL . 3.0 t -85.18 -28.0 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.32 -52.24 10.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.2 t -47.14 -30.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.78 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.2 mm? -110.65 158.09 36.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -72.93 57.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 4.5 t -123.1 -30.64 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.711 HG23 HD12 ' A' ' 984' ' ' ILE . 0.1 OUTLIER -116.38 16.34 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 982' ' ' ARG . 0.2 OUTLIER -48.66 -96.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 2.8 ptt180 -37.13 -45.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.17 -53.91 30.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.952 HD11 ' CG1' ' A' 1039 ' ' ILE . 1.3 mt -59.7 -36.57 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.48 -42.21 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -26.84 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -75.16 -21.51 58.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.535 ' HG2' HD11 ' A' 1035 ' ' LEU . 1.2 mt-30 -77.3 -47.92 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -66.07 -33.22 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.76 -65.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.734 HD11 HD12 ' A' ' 995' ' ' LEU . 1.4 tp -45.26 -47.85 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.677 ' OD1' HD13 ' A' ' 962' ' ' LEU . 1.4 t30 -56.8 -57.82 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.75 -63.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.734 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.8 m-20 -51.42 -56.73 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 1.022 HD13 HD11 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -46.73 -54.02 10.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.06 -36.54 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.88 -31.01 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.568 HD13 HD12 ' A' 1028 ' ' LEU . 1.8 tt -75.2 -40.03 59.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.614 HD13 HG13 ' A' ' 955' ' ' VAL . 47.0 mm -54.21 -45.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' LYS . 49.3 t30 -62.04 -55.71 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.69 -46.3 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.657 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -64.42 -36.63 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1000 ' ' ASN . 1.0 OUTLIER -64.8 -21.76 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.72 -46.37 10.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.351 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.755 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -59.58 -15.21 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -32.0 66.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1007 ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' 1010 ' ' MET . 0.3 OUTLIER -107.49 -23.14 12.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.422 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.4 m-85 -86.0 4.0 39.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 948' ' ' PRO . 1.7 p -79.99 -40.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -51.36 -19.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' 1012 ' ' SER . 1.4 t -114.99 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.539 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -89.52 17.66 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.534 ' HB2' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -80.9 -33.39 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -36.52 -66.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -34.12 -38.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.6 OUTLIER -67.94 -67.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.422 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -55.02 -19.7 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' 1021 ' ' MET . 6.2 mptt -66.74 -48.82 67.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -63.53 -25.7 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -68.4 -58.97 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.5 ptm -52.3 -24.33 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -71.24 -45.62 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.3 m -49.56 -44.75 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1024 ' ' ALA . . . . . 0.528 ' HB3' HD12 ' A' ' 998' ' ' LEU . . . -75.8 -47.18 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.551 ' HB1' HG12 ' A' ' 936' ' ' VAL . . . -55.15 -29.94 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.88 -56.03 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.35 80.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 994' ' ' ASP . 10.1 mt -54.56 -65.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.895 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.95 -45.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.4 t -68.98 -53.07 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -41.14 -62.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.561 ' HB3' HG21 ' A' ' 933' ' ' VAL . . . -50.02 -36.25 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.4 tptt -63.1 -46.21 88.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.92 -39.97 72.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.717 ' O ' HG12 ' A' 1038 ' ' VAL . 8.5 tt -49.17 -57.8 6.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1036 ' ' LEU . . . . . 1.145 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -73.17 -39.23 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 47.7 t0 -45.64 -51.53 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' 1035 ' ' LEU . 12.3 p -63.27 -34.71 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.952 ' CG1' HD11 ' A' ' 984' ' ' ILE . 11.4 mt -63.16 -50.12 80.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -45.81 47.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.696 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.2 OUTLIER -65.62 -21.56 66.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.58 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -83.51 -56.72 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.436 ' HG3' ' CE ' ' A' 1046 ' ' MET . 10.3 ttp180 -43.26 -42.68 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.696 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.6 pp -72.2 -36.55 69.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' 1044 ' ' LEU . 8.3 tmtt? -53.02 -20.79 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.436 ' CE ' ' HG3' ' A' 1043 ' ' ARG . 0.0 OUTLIER -89.03 -39.68 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' 1046 ' ' MET . 3.2 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.597 ' OD1' HG11 ' A' ' 975' ' ' VAL . 2.7 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -48.45 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.87 -49.88 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 929' ' ' VAL . 81.7 t -53.64 -49.12 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.976 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.8 m-30 -64.26 -37.36 87.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 928' ' ' ASN . 3.5 mm-40 -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.485 ' OD1' HG21 ' A' ' 968' ' ' THR . 15.3 m120 -40.38 -51.54 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.75 ' CG2' HD11 ' A' ' 965' ' ' LEU . 60.8 t -47.59 -62.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.4 p -61.21 -60.92 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -38.35 -50.96 2.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.17 -50.39 48.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' A' 1032 ' ' ALA . 2.1 t -52.21 -32.68 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.6 -50.5 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -64.18 -42.74 96.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.556 HG23 HD12 ' A' ' 932' ' ' LEU . 2.7 t -38.96 -49.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' 1029 ' ' ALA . 5.0 mt -84.92 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.69 -42.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 13.6 ttm -46.44 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.504 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.3 m -38.16 -35.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -51.08 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.873 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.63 26.91 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.821 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.93 -51.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.0 tt0 -45.85 -51.86 28.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.99 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.873 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.89 131.39 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.446 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.0 -16.82 20.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.4 -18.86 29.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.2 tp10 -106.19 -4.76 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.821 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -91.95 -43.6 9.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.853 HG23 ' OE1' ' A' 1006 ' ' GLN . 0.9 OUTLIER -54.55 -47.17 98.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -74.95 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.465 ' HE1' HG12 ' A' ' 943' ' ' ILE . 1.6 tmm? -32.58 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.878 HG11 ' HG2' ' A' 1002 ' ' MET . 75.9 t -67.68 -54.62 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -46.75 -36.69 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -53.09 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.445 ' CG1' ' CD1' ' A' ' 962' ' ' LEU . 2.2 t -43.5 -57.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.6 -44.85 8.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.45 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 995' ' ' LEU . 1.1 mt -56.94 -47.38 80.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 963' ' ' ARG . . . . . 0.452 ' HA ' HD13 ' A' ' 966' ' ' LEU . 0.1 OUTLIER -47.24 -53.81 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 968' ' ' THR . 1.2 m -58.5 -27.44 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.75 HD11 ' CG2' ' A' ' 929' ' ' VAL . 10.0 tp -59.64 -44.25 93.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 966' ' ' LEU . 6.0 mp -58.99 -49.56 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.35 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 964' ' ' THR . 38.0 p -45.71 -47.52 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 965' ' ' LEU . 39.7 t -57.14 -41.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.411 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 10.5 t0 -49.25 -35.24 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 975' ' ' VAL . 11.8 mt-10 -79.88 -24.06 41.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.571 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.6 OUTLIER -86.13 -28.54 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.518 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.17 -50.8 14.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.04 -35.69 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.597 HG11 ' OD1' ' A' ' 922' ' ' ASN . 17.5 t -47.43 -33.22 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.808 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -109.46 159.61 30.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 981' ' ' HIS . 18.3 Cg_endo -75.0 175.14 11.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -81.14 49.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -20.78 8.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.998 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.884 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 1.8 t -116.77 -9.58 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 977' ' ' PRO . 13.8 m170 -48.31 -59.45 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -44.31 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.605 ' HB2' HG11 ' A' 1038 ' ' VAL . 7.7 mt-10 -49.32 -47.63 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.753 HD12 HG23 ' A' ' 980' ' ' THR . 12.8 mt -51.1 -49.54 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -50.06 57.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.9 mtm -72.51 -28.19 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.52 -37.75 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.56 -44.73 81.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.28 68.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -56.75 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.792 HD11 HD21 ' A' ' 962' ' ' LEU . 10.3 tp -56.03 -59.32 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.51 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.3 t-20 -45.31 -45.78 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.689 ' CB ' HD21 ' A' 1028 ' ' LEU . 0.8 OUTLIER -49.48 -32.57 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.67 -60.74 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.5 -54.57 35.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -52.96 -23.7 7.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.573 HD13 HD11 ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.24 -48.2 71.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 995' ' ' LEU . 4.2 mp -62.73 -59.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.2 -43.63 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -63.04 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.878 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -51.67 -26.42 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.6 mtpt -59.51 -43.87 93.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' 1008 ' ' TYR . 12.1 mt -78.54 -29.56 46.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -55.31 -27.0 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.853 ' OE1' HG23 ' A' ' 952' ' ' VAL . 0.5 OUTLIER -93.3 -18.77 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -100.23 -1.21 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.633 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 5.4 m-85 -110.75 -16.02 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' 1010 ' ' MET . 2.2 p -67.55 -26.95 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -33.43 -45.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' 1012 ' ' SER . 9.7 t -97.84 -56.91 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.4 t 152.33 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' 1016 ' ' GLU . 1.0 OUTLIER -83.61 -19.73 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' 1018 ' ' LYS . 2.8 tt0 -36.84 -67.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' 1014 ' ' GLN . 1.9 pp0? -33.85 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' 1013 ' ' LEU . 16.7 tt0 -73.14 -68.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.633 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 7.8 m-85 -59.62 -13.82 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.08 -56.81 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1019 ' ' LYS . . . . . 0.439 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 3.4 mmpt? -57.01 -33.67 67.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -63.88 -55.35 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 2.0 mmm -43.61 -38.68 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' 1022 ' ' LEU . 3.0 tm? -64.07 -47.88 78.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -41.54 -48.43 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.0 61.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.87 -35.14 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -63.9 -55.99 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.639 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.38 84.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.689 HD21 ' CB ' ' A' ' 994' ' ' ASP . 11.2 mt -58.16 -65.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.57 -40.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.9 t -74.18 -54.48 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -42.02 -56.34 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.528 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -56.9 -37.01 70.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -67.14 -59.79 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.827 ' O ' HG23 ' A' 1038 ' ' VAL . 12.8 t-20 -43.27 -32.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.4 -69.1 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.976 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -43.9 -46.38 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' 1034 ' ' ASN . 85.3 t -66.56 -34.76 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.808 HG23 ' HG ' ' A' ' 976' ' ' LEU . 9.0 mt -65.55 -51.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 6.3 t0 -46.68 -46.6 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.503 ' O ' ' CD1' ' A' 1044 ' ' LEU . 28.2 tt0 -68.7 -25.94 65.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.884 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -81.82 -29.04 32.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' 1039 ' ' ILE . 0.8 OUTLIER -57.37 -64.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.799 HD22 ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -60.31 -26.02 66.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.727 ' N ' HD22 ' A' 1044 ' ' LEU . 1.8 tttp -52.54 -26.85 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -21.98 30.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 6.9 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 43.8 p-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 922' ' ' ASN . 0.9 OUTLIER -74.78 -26.86 60.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -76.28 -41.46 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.926 HG23 HG22 ' A' ' 968' ' ' THR . 2.8 t -74.75 -36.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.856 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.5 m-30 -70.89 -23.2 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 961' ' ' ALA . 0.1 OUTLIER -46.05 -38.08 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.741 ' O ' HD13 ' A' ' 932' ' ' LEU . 1.9 t -58.65 -63.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 929' ' ' VAL . 41.6 p -58.69 -30.19 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.65 -81.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.89 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -50.5 -39.92 49.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.89 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.5 t -56.13 -54.57 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -55.22 -39.8 70.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -67.91 -50.59 55.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 932' ' ' LEU . 56.3 t -34.89 -44.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' 1029 ' ' ALA . 2.6 mp -83.97 -66.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -40.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.0 OUTLIER -51.86 -69.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.529 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 93.3 p -41.11 -33.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -46.47 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.9 23.51 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.921 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -92.96 -50.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -39.0 -53.08 3.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.06 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -36.23 125.49 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.48 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.02 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.03 -18.89 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.27 -14.04 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.494 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -113.43 -5.11 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.921 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.9 t80 -92.65 -36.61 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -51.87 -46.13 92.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.98 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.87 -55.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.666 HG13 HD13 ' A' ' 999' ' ' ILE . 2.1 t -63.24 -49.55 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.95 -38.27 35.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.33 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.42 HG12 HD11 ' A' ' 995' ' ' LEU . 54.2 t -64.32 -49.26 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -59.26 -21.7 54.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.52 -43.97 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 961' ' ' ALA . . . . . 0.564 ' O ' ' ND2' ' A' ' 928' ' ' ASN . . . -67.85 -43.96 78.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -64.03 -33.86 76.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 963' ' ' ARG . . . . . 0.89 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -57.04 -57.62 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 18.9 m -52.27 -46.48 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.7 tm? -46.47 -54.78 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 962' ' ' LEU . 5.6 mp -42.57 -60.22 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.16 83.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.926 HG22 HG23 ' A' ' 925' ' ' VAL . 4.1 m -55.44 -45.48 76.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 965' ' ' LEU . 98.8 t -53.35 -45.32 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -49.35 -41.82 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.729 ' O ' HG23 ' A' ' 975' ' ' VAL . 43.2 tt0 -74.49 -23.15 58.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.597 ' HB2' HG21 ' A' ' 925' ' ' VAL . 12.1 t -86.7 -18.07 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.2 OUTLIER -51.75 -53.16 53.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.55 3.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 971' ' ' GLU . 48.4 t -47.82 -26.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.4 OUTLIER -105.37 160.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.494 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -42.66 116.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.1 p 158.24 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.98 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 2.0 t -101.4 -0.43 35.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -62.12 -42.19 98.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.879 ' HB2' HG21 ' A' 1038 ' ' VAL . 11.6 mt-10 -51.12 -39.39 56.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' 1039 ' ' ILE . 27.3 mt -55.66 -51.64 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.22 -51.2 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -28.47 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.442 ' O ' HD12 ' A' 1035 ' ' LEU . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.19 -55.49 21.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -32.46 55.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 990' ' ' LEU . . . . . 0.496 HD23 ' OD1' ' A' ' 994' ' ' ASP . 0.1 OUTLIER -58.61 -52.92 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 962' ' ' LEU . 13.9 tp -45.63 -60.23 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -54.3 -59.89 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -59.41 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.558 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.0 OUTLIER -57.38 -48.92 77.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 995' ' ' LEU . 0.2 OUTLIER -51.35 -57.11 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.02 -44.35 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -37.57 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 995' ' ' LEU . 1.4 tt -78.31 -45.51 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.666 HD13 HG13 ' A' ' 955' ' ' VAL . 39.9 mm -55.08 -43.47 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 27.5 t30 -66.71 -55.88 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 9.9 mmtm -39.88 -37.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.615 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.1 OUTLIER -75.74 -47.04 27.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' 1000 ' ' ASN . 0.7 OUTLIER -53.42 -23.01 8.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' 1007 ' ' GLN . 17.7 mt -90.72 -48.05 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.694 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -49.25 -25.53 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.428 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.9 OUTLIER -67.46 -36.0 80.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1007 ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.0 OUTLIER -94.99 -28.85 14.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.77 ' CD2' ' CE1' ' A' 1017 ' ' TYR . 30.8 m-85 -92.75 36.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' 1014 ' ' GLN . 2.4 p -125.23 -42.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.86 57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.1 OUTLIER -177.23 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.9 OUTLIER 157.59 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.3 OUTLIER -44.18 -27.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.538 ' HB2' HG23 ' A' 1009 ' ' VAL . 0.5 OUTLIER -35.27 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -36.93 -35.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' 1013 ' ' LEU . 2.8 tt0 -68.43 -60.32 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.77 ' CE1' ' CD2' ' A' 1008 ' ' TYR . 4.4 m-85 -67.95 -13.34 62.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' 1014 ' ' GLN . 4.7 tptt -68.61 -50.37 52.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -40.21 96.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -56.24 -52.97 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -46.23 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -53.32 -54.07 41.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.7 m -38.28 -50.87 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.64 -53.09 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 936' ' ' VAL . . . -47.62 -26.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.16 -57.61 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -71.29 -34.69 70.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.558 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.9 OUTLIER -61.34 -63.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.701 ' CB ' HD11 ' A' ' 937' ' ' ILE . . . -42.43 -41.04 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.0 t -73.15 -51.68 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.58 -55.25 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -55.68 -41.59 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 15.5 mmtt -63.3 -45.34 91.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 18.3 t30 -56.32 -27.83 56.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' 1038 ' ' VAL . 1.0 OUTLIER -63.36 -62.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.856 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -66.6 -37.87 85.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -39.76 -63.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.879 HG21 ' HB2' ' A' ' 983' ' ' GLU . 2.9 p -52.99 -41.49 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.676 HG12 HD11 ' A' ' 984' ' ' ILE . 4.5 mt -59.73 -48.7 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.83 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.2 OUTLIER -63.49 -25.32 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.98 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -77.35 -55.91 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -36.84 -57.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.83 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -52.83 -48.59 66.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.449 ' N ' HD12 ' A' 1044 ' ' LEU . 7.6 tmtm? -39.88 -30.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.494 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 16.8 ttp -91.06 -51.93 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 5.8 t30 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.46 -39.76 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -55.23 -71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.777 ' CG2' HG22 ' A' ' 968' ' ' THR . 86.5 t -44.34 -53.37 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.913 ' CE1' HD21 ' A' 1036 ' ' LEU . 3.9 m-85 -53.06 -49.95 65.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 928' ' ' ASN . 0.7 OUTLIER -65.67 -63.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' A' ' 968' ' ' THR . 34.2 m120 -38.81 -40.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.524 HG23 ' CD1' ' A' ' 965' ' ' LEU . 2.2 t -58.59 -66.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 926' ' ' TYR . 80.8 p -45.05 -54.9 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.83 -32.7 48.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.85 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -74.61 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 934' ' ' LYS . 30.0 m -57.04 -51.78 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 930' ' ' THR . 2.0 mmpt? -42.93 -44.3 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -73.24 -50.38 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.643 HG23 HD12 ' A' ' 932' ' ' LEU . 9.1 t -35.68 -41.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 938' ' ' GLU . 26.5 mt -84.65 -67.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.49 -47.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.496 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.3 ttp -47.07 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 34.1 m -39.51 -34.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -50.97 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.863 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.65 28.19 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.01 -51.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.27 -51.38 34.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.863 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -36.32 127.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.469 ' HA ' ' OE1' ' A' 1006 ' ' GLN . 18.3 Cg_endo -75.05 -13.98 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.42 -20.2 23.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -107.74 -9.63 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.637 ' CE1' HD11 ' A' ' 943' ' ' ILE . 3.5 t80 -90.67 -41.34 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.708 HG23 ' CD ' ' A' 1006 ' ' GLN . 0.9 OUTLIER -44.7 -49.69 26.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -30.08 -50.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.721 HG21 ' HB2' ' A' 1002 ' ' MET . 14.3 t -68.88 -54.76 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 953' ' ' PRO . 5.3 mmtp -39.85 -31.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 957' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.45 -57.77 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.455 ' O ' HD12 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -49.99 -44.61 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.71 -37.33 68.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -51.1 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -47.67 -56.75 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 991' ' ' LEU . 1.6 mt -52.26 -49.24 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.29 -57.2 12.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.0 m -56.4 -46.76 79.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.524 ' CD1' HG23 ' A' ' 929' ' ' VAL . 0.8 OUTLIER -49.58 -49.57 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -57.88 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 970' ' ' ASP . . . -55.84 -52.86 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.777 HG22 ' CG2' ' A' ' 925' ' ' VAL . 4.6 m -47.26 -47.41 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 972' ' ' SER . 55.3 t -55.84 -38.1 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.427 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 19.4 t0 -48.58 -45.59 38.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.481 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.5 mt-10 -69.01 -22.74 64.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.729 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.6 OUTLIER -85.81 -26.58 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.1 -51.28 7.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -74.95 -36.51 2.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 976' ' ' LEU . 17.1 t -48.03 -33.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.5 OUTLIER -110.21 160.35 28.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.486 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 162.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -39.4 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 977' ' ' PRO . 0.3 OUTLIER -48.01 -22.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.731 HG23 ' HB1' ' A' 1042 ' ' ALA . 18.1 p -98.8 30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.3 OUTLIER -86.88 -99.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.557 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.473 ' HB3' ' CE ' ' A' ' 986' ' ' MET . 0.0 OUTLIER -54.16 -39.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.454 ' HB3' HG11 ' A' 1038 ' ' VAL . 5.5 mt-10 -54.9 -42.78 72.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 1.3 mt -74.14 -36.05 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.13 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 986' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -68.31 -42.27 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.528 ' HB3' HD22 ' A' 1035 ' ' LEU . . . -74.39 -30.85 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -66.42 -54.75 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -53.87 -35.68 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -63.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.707 HD11 HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.33 -49.56 23.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -60.19 -49.93 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.74 -64.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.494 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.6 OUTLIER -56.22 -34.33 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.769 ' C ' HD12 ' A' ' 995' ' ' LEU . 0.1 OUTLIER -54.32 -58.37 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.61 19.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -35.45 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 998' ' ' LEU . 0.6 OUTLIER -67.9 -50.05 58.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.548 HD13 ' CG1' ' A' ' 955' ' ' VAL . 11.1 mm -55.15 -44.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1001 ' ' LYS . 1.1 t-20 -64.49 -52.6 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.0 OUTLIER -39.21 -36.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.721 ' HB2' HG21 ' A' ' 955' ' ' VAL . 7.0 tmm? -74.86 -49.81 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -53.43 -23.27 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.404 ' HB3' ' CE2' ' A' 1008 ' ' TYR . 20.1 mt -90.87 -48.07 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.598 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -61.42 -13.99 24.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.708 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.3 OUTLIER -85.57 -30.3 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -102.31 -4.3 25.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.833 ' O ' HG22 ' A' 1011 ' ' THR . 2.8 m-85 -105.0 -20.88 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' 1009 ' ' VAL . 1.6 p -58.84 -39.32 77.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -29.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.833 HG22 ' O ' ' A' 1008 ' ' TYR . 8.9 t -105.63 -142.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.535 ' N ' HG23 ' A' 1011 ' ' THR . 37.6 m -113.16 -21.9 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.981 HD12 ' CE2' ' A' 1017 ' ' TYR . 0.2 OUTLIER -44.12 -26.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' 1018 ' ' LYS . 0.0 OUTLIER -37.41 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' 1014 ' ' GLN . 2.9 pt20 -37.47 -37.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.77 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.6 OUTLIER -69.53 -61.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.981 ' CE2' HD12 ' A' 1013 ' ' LEU . 14.1 m-85 -60.6 -19.96 59.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.436 ' HE3' ' CD1' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -68.1 -43.34 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -37.91 89.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -55.95 -47.36 77.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -54.37 -47.84 72.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' 1022 ' ' LEU . 2.6 tm? -50.86 -47.04 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.3 m -47.3 -52.01 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.99 99.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.426 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -56.12 -30.13 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 67.5 t60 -72.3 -54.83 8.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.66 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 994' ' ' ASP . 10.6 mt -56.97 -66.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.52 -44.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' 1033 ' ' LYS . 13.6 t -69.86 -55.97 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -41.02 -56.29 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.449 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -59.77 -36.81 77.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.2 OUTLIER -61.67 -66.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.696 ' O ' HG23 ' A' 1038 ' ' VAL . 4.6 m-20 -38.5 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 987' ' ' ALA . 0.6 OUTLIER -59.07 -69.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.913 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -71.53 -44.22 65.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1037 ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' 1033 ' ' LYS . 6.3 t0 -41.73 -41.48 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' 1034 ' ' ASN . 49.0 t -71.97 -40.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.802 HG23 ' HG ' ' A' ' 976' ' ' LEU . 22.2 mt -55.46 -56.81 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.27 -44.71 16.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.57 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.5 mt-30 -75.49 -24.85 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.731 ' HB1' HG23 ' A' ' 980' ' ' THR . . . -75.32 -51.38 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -47.6 -59.83 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.0 pp -54.19 -34.44 60.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.492 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -52.31 -22.55 4.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' 1047 ' ' ILE . 0.2 OUTLIER -92.21 -38.93 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' 1046 ' ' MET . 5.3 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' A' ' 926' ' ' TYR . 19.1 t-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 925' ' ' VAL . 0.4 OUTLIER -75.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -41.46 -31.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 929' ' ' VAL . 21.1 t -78.16 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 1.167 ' CD1' HD11 ' A' 1036 ' ' LEU . 4.7 m-30 -54.22 -28.49 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.41 -64.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.95 -36.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.693 HG13 ' HB1' ' A' 1032 ' ' ALA . 86.9 t -60.04 -65.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 934' ' ' LYS . 66.6 p -56.58 -63.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.365 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.06 -54.23 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.776 HD22 HD13 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -64.26 -48.89 74.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.4 t -60.09 -33.68 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.3 OUTLIER -57.99 -39.32 77.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.74 -40.94 32.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.456 HG23 HD12 ' A' ' 932' ' ' LEU . 2.7 t -39.19 -45.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.3 mp -84.83 -65.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -34.91 -41.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 942' ' ' LYS . 31.9 ttm -46.72 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 16.7 t -44.28 -31.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -43.33 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.869 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -111.9 27.6 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.0 OUTLIER -94.38 -50.41 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -46.61 -51.87 34.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.0 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.869 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -35.79 126.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.469 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.97 177.57 8.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -75.0 -16.53 20.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -17.31 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.235 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.42 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -110.19 -3.62 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 12.6 t80 -93.73 -42.86 8.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -51.77 -46.51 91.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.97 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.454 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 5.2 ttp -37.04 -43.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.594 HG21 ' CB ' ' A' 1002 ' ' MET . 11.6 t -71.5 -56.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.75 -43.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -58.14 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 961' ' ' ALA . 50.9 t -48.08 -56.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.18 -38.5 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 961' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 958' ' ' VAL . . . -64.82 -43.04 94.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.787 ' CD1' HD11 ' A' ' 991' ' ' LEU . 3.6 mm? -60.04 -46.5 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 963' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 963' ' ' ARG . 0.0 OUTLIER -59.73 -53.41 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 968' ' ' THR . 6.9 m -55.46 -34.92 64.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 1.029 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.0 tt -60.34 -41.54 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.429 HD23 ' OE1' ' A' ' 988' ' ' GLN . 1.4 tt -56.05 -43.96 78.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -58.96 -66.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.534 ' HB ' HG22 ' A' ' 925' ' ' VAL . 76.2 p -40.51 -43.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 965' ' ' LEU . 58.6 t -53.62 -48.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 967' ' ' ALA . 28.1 t70 -48.62 -37.07 17.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.762 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.1 mt-10 -79.12 -24.46 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.485 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.1 OUTLIER -86.28 -17.35 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.554 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.2 OUTLIER -53.79 -53.68 54.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.5 Cg_endo -74.92 -33.76 4.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 971' ' ' GLU . 42.5 t -48.95 -26.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.986 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.3 OUTLIER -107.69 155.47 39.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.7 5.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.61 108.57 10.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.82 -34.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.659 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 5.1 t -111.37 53.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -83.03 -92.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 985' ' ' GLU . 27.0 ttm180 -43.93 -54.7 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.767 ' CB ' HG11 ' A' 1038 ' ' VAL . 24.0 mt-10 -40.15 -48.24 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.999 HD11 ' CG1' ' A' 1039 ' ' ILE . 0.4 OUTLIER -63.78 -44.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -62.58 -38.55 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 5.7 mtp -71.43 -23.69 61.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -79.64 -20.82 45.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 965' ' ' LEU . 1.7 mm-40 -75.88 -46.86 27.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -41.72 83.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.787 HD11 ' CD1' ' A' ' 962' ' ' LEU . 1.5 tt -62.59 -54.01 46.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -61.6 -35.51 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -66.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.571 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.4 OUTLIER -52.6 -34.98 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.5 OUTLIER -54.99 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.18 -53.11 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.55 -35.12 73.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 995' ' ' LEU . 7.5 tt -69.82 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.478 HD12 ' CG1' ' A' ' 955' ' ' VAL . 19.3 mm -60.68 -54.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.1 t30 -52.71 -26.65 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.594 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -50.16 -23.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' 1002 ' ' MET . 3.1 mtpt -70.79 -52.36 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.03 -41.42 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.629 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -44.31 -44.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 32.6 mm-40 -47.2 -33.44 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -37.46 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.593 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 55.3 m-85 -87.22 40.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' 1005 ' ' ALA . 2.6 p -129.1 -44.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.67 ' C ' HG22 ' A' 1011 ' ' THR . 0.0 OUTLIER -63.02 71.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.67 HG22 ' C ' ' A' 1010 ' ' MET . 0.0 OUTLIER 164.77 -56.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.8 OUTLIER 155.63 -23.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -39.89 -29.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' 1012 ' ' SER . 33.5 tt0 -37.49 -58.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -36.83 -40.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.8 OUTLIER -66.88 -68.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.593 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 3.9 m-85 -55.01 -24.4 24.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.441 ' O ' ' NZ ' ' A' 1018 ' ' LYS . 0.2 OUTLIER -59.9 -50.78 72.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1019 ' ' LYS . . . . . 0.426 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -58.48 -36.55 73.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -62.18 -55.32 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -41.17 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' 1022 ' ' LEU . 1.9 tm? -58.32 -44.19 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 25.2 m -47.96 -49.77 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.14 83.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -53.85 -34.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 4.8 t60 -69.28 -55.86 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.18 -34.68 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 994' ' ' ASP . 9.4 mt -56.08 -66.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.18 -40.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.2 t -72.89 -52.0 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -42.21 -58.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.693 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -55.99 -35.46 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.4 OUTLIER -67.1 -60.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.483 ' O ' HG23 ' A' 1038 ' ' VAL . 11.3 t-20 -41.61 -31.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 987' ' ' ALA . 6.1 tt -61.75 -70.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1036 ' ' LEU . . . . . 1.167 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.6 -39.86 81.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.03 -56.01 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.767 HG11 ' CB ' ' A' ' 983' ' ' GLU . 80.2 t -57.38 -37.93 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.999 ' CG1' HD11 ' A' ' 984' ' ' ILE . 4.0 mt -64.06 -42.67 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.65 -38.92 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.62 ' HA ' HD21 ' A' 1044 ' ' LEU . 14.0 mt-30 -74.5 -26.08 59.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.986 ' HB3' HD12 ' A' ' 976' ' ' LEU . . . -81.31 -43.38 19.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.552 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 3.3 ttm180 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.1 pp -62.61 -38.26 89.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.548 ' N ' HD12 ' A' 1044 ' ' LEU . 0.3 OUTLIER -47.93 -24.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.2 OUTLIER -85.98 -29.9 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.7 mm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -37.25 60.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -53.99 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 972' ' ' SER . 91.5 t -49.13 -61.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.984 ' CZ ' HD21 ' A' 1036 ' ' LEU . 5.3 m-85 -52.52 -30.95 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.56 -47.66 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 932' ' ' LEU . 0.9 OUTLIER -59.02 -58.44 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 1.01 ' O ' HG22 ' A' ' 933' ' ' VAL . 3.1 t -42.27 -53.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.5 p -61.08 -55.75 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -55.24 -25.58 40.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.811 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -81.66 -63.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 929' ' ' VAL . 6.1 m -57.68 -31.01 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.3 mmmt -63.07 -46.44 87.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -72.47 -45.25 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.591 HG23 HD12 ' A' ' 932' ' ' LEU . 3.5 t -40.56 -49.95 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 938' ' ' GLU . 66.9 mt -73.86 -62.74 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -34.03 -45.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.9 ttp -44.59 -69.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.879 ' CB ' HD23 ' A' 1022 ' ' LEU . 7.9 p -41.75 -37.27 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.6 t -60.83 -43.72 97.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.841 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -112.89 30.12 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.657 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.97 -50.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.6 OUTLIER -43.76 -53.61 12.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.02 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.36 127.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.455 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.04 177.02 9.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -74.97 -16.34 20.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.18 -22.08 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.433 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -104.19 -3.95 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.728 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 10.7 t80 -93.0 -42.28 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -49.53 -47.08 78.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.46 ' HE3' ' HD1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -33.99 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.494 ' CG1' HD13 ' A' ' 999' ' ' ILE . 2.2 t -51.84 -52.02 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -38.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 957' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.4 OUTLIER -60.45 -54.6 43.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 14.2 t -40.07 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.93 93.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 960' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -54.9 -45.8 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -53.15 -47.66 68.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 1.0 HD22 ' CD2' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -55.88 -54.22 47.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -52.94 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.902 ' O ' HG23 ' A' ' 968' ' ' THR . 2.0 m -64.88 -33.74 76.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.4 OUTLIER -57.28 -46.64 82.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 962' ' ' LEU . 7.0 mp -54.49 -52.46 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.52 33.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.902 HG23 ' O ' ' A' ' 964' ' ' THR . 62.6 p -54.35 -35.9 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 965' ' ' LEU . 45.9 t -63.16 -44.04 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t70 -49.56 -40.27 37.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 975' ' ' VAL . 28.3 mt-10 -78.01 -22.36 49.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.872 ' HB2' HG21 ' A' ' 925' ' ' VAL . 32.6 t -85.66 -24.34 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.813 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -47.61 -52.62 36.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 971' ' ' GLU . 7.0 t -47.11 -28.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.654 ' CD1' HG23 ' A' 1039 ' ' ILE . 1.9 mm? -107.45 149.51 38.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.4 Cg_endo -74.97 67.85 5.83 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . 36.13 -151.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -57.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.754 HG23 HD12 ' A' ' 984' ' ' ILE . 1.4 t -76.19 -5.87 48.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.813 ' CD2' HD22 ' A' ' 973' ' ' LEU . 23.5 m170 -50.12 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.22 -68.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.752 ' HB2' HG11 ' A' 1038 ' ' VAL . 21.5 mt-10 -55.5 -39.9 71.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.754 HD12 HG23 ' A' ' 980' ' ' THR . 9.9 mt -58.31 -45.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.56 -24.43 56.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.755 ' HB3' HD13 ' A' 1035 ' ' LEU . . . -73.08 -29.37 62.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.454 ' NE2' HG21 ' A' ' 969' ' ' VAL . 2.1 mm-40 -73.63 -44.55 56.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -31.43 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.72 ' HG ' HD21 ' A' ' 962' ' ' LEU . 53.5 tp -42.47 -48.57 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 995' ' ' LEU . 0.5 OUTLIER -61.62 -62.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.82 -54.36 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' 1028 ' ' LEU . 1.1 m-20 -63.17 -29.85 71.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 1.0 ' CD2' HD22 ' A' ' 962' ' ' LEU . 1.1 tp -68.63 -57.95 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.45 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.03 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 995' ' ' LEU . 8.3 tt -72.5 -42.22 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.494 HD13 ' CG1' ' A' ' 955' ' ' VAL . 4.6 mm -55.51 -46.84 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' 1001 ' ' LYS . 66.1 t30 -59.69 -54.6 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' 1000 ' ' ASN . 16.7 mmtt -39.82 -33.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 2.4 ttp -79.9 -54.48 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -25.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' 1002 ' ' MET . 14.8 mt -86.47 -54.53 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.728 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -45.05 -40.51 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' 1009 ' ' VAL . 3.8 tp-100 -46.83 -42.33 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -98.77 -24.74 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.622 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 10.0 m-85 -91.54 30.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' 1010 ' ' MET . 11.3 p -118.97 -52.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.491 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -54.06 -40.99 67.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.929 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.707 HG23 ' H ' ' A' 1012 ' ' SER . 0.0 OUTLIER -50.84 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.707 ' H ' HG23 ' A' 1011 ' ' THR . 1.4 p 157.14 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.07 56.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.485 ' NE2' HG23 ' A' 1009 ' ' VAL . 2.4 tp-100 -86.36 -76.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -39.87 -29.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -72.15 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 4.6 m-85 -66.86 -14.85 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -44.43 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.59 -33.67 76.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.18 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.2 ptm -56.8 -24.6 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.879 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.1 tm? -71.17 -52.98 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -43.08 -44.76 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.24 60.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.95 -29.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.91 -59.97 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.65 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.81 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' A' ' 994' ' ' ASP . 0.6 OUTLIER -59.03 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.785 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -41.39 -42.52 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 14.6 t -69.83 -44.14 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 1028 ' ' LEU . 39.6 t0 -45.71 -55.85 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.431 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.75 -37.36 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 3.1 tttt -66.79 -43.94 82.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' 1038 ' ' VAL . 13.2 t-20 -54.19 -40.08 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 987' ' ' ALA . 3.3 tp -54.35 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.984 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.61 -39.51 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -41.17 -48.6 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 983' ' ' GLU . 41.9 t -64.98 -39.39 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.654 HG23 ' CD1' ' A' ' 976' ' ' LEU . 8.5 mt -59.68 -50.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 10.5 t0 -46.03 -43.66 14.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' 1044 ' ' LEU . 15.8 tt0 -61.95 -33.56 74.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -79.24 -29.3 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.82 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' 1045 ' ' LYS . 0.0 OUTLIER -57.3 -27.62 62.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.815 ' N ' HD22 ' A' 1044 ' ' LEU . 0.7 OUTLIER -51.79 -22.04 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 13.3 ttp -78.77 -46.13 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -22.95 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -63.21 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.733 HG22 HG22 ' A' ' 968' ' ' THR . 97.3 t -59.24 -38.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.861 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.5 m-85 -70.85 -18.82 62.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.4 OUTLIER -75.03 -69.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.49 -45.63 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 925' ' ' VAL . 54.5 t -52.45 -57.24 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 931' ' ' GLY . 1.3 p -67.64 -60.78 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -36.69 -48.83 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.819 HD22 HD22 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -71.74 -50.12 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.5 t -50.94 -41.27 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 23.7 mttt -61.54 -48.32 81.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -59.65 -48.25 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' 1025 ' ' ALA . 2.4 t -38.51 -47.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.73 HD11 ' HB2' ' A' 1029 ' ' ALA . 2.6 mp -84.02 -62.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -33.09 -49.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 943' ' ' ILE . 2.9 ttp -44.6 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.553 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -38.68 -36.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.2 m -61.0 -50.44 73.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.899 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -106.92 28.71 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 1.123 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.53 -51.86 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.7 mt-30 -46.04 -51.47 31.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.99 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.899 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.46 130.51 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.422 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.01 176.17 10.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.98 -13.8 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.24 -23.01 22.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -103.92 -4.85 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 1.123 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.1 t80 -94.12 -41.14 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.599 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -50.72 -46.93 86.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.1 Cg_endo -75.02 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -34.95 -66.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.989 HG21 ' HB2' ' A' 1002 ' ' MET . 0.9 OUTLIER -54.87 -52.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -30.77 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.61 69.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.03 -46.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.98 94.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -57.36 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.72 -47.56 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.819 HD22 HD22 ' A' ' 932' ' ' LEU . 0.3 OUTLIER -57.32 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -55.0 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 17.7 m -62.02 -42.58 99.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.693 HD22 HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -49.46 -48.04 47.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 962' ' ' LEU . 2.7 mp -52.02 -60.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.23 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.733 HG22 HG22 ' A' ' 925' ' ' VAL . 28.2 m -52.38 -40.15 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 965' ' ' LEU . 16.7 t -63.69 -35.75 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.408 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.2 t70 -52.32 -40.41 61.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 975' ' ' VAL . 11.6 mt-10 -71.8 -20.71 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.594 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.19 -30.68 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.511 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -39.77 -51.6 5.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.21 3.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 971' ' ' GLU . 36.0 t -47.25 -27.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.629 ' CD1' HG23 ' A' 1039 ' ' ILE . 1.4 mm? -109.87 158.78 33.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -164.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.25 174.99 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 21.94 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.755 HG23 ' HB2' ' A' 1042 ' ' ALA . 0.2 OUTLIER -114.89 -56.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 0.0 OUTLIER -48.52 -23.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.582 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 980' ' ' THR . 0.2 OUTLIER -68.34 -79.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.491 ' HB2' HG11 ' A' 1038 ' ' VAL . 42.3 mt-10 -55.23 -21.15 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.668 HD11 ' CG1' ' A' 1039 ' ' ILE . 2.4 mt -73.34 -38.34 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.5 OUTLIER -62.89 -41.19 99.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.5 -26.47 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -81.32 -24.83 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.76 -44.12 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -37.62 87.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -49.01 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 962' ' ' LEU . 11.8 tp -54.82 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.1 t-20 -49.81 -42.25 46.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.16 -69.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.651 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.2 m-20 -52.69 -36.11 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 999' ' ' ILE . 0.2 OUTLIER -54.44 -59.21 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 996' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -47.87 -50.6 25.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -59.71 -30.31 68.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 998' ' ' LEU . 0.1 OUTLIER -73.61 -47.46 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.7 HG12 HD12 ' A' ' 995' ' ' LEU . 48.7 mm -49.51 -49.19 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -66.12 -36.74 83.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.79 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.989 ' HB2' HG21 ' A' ' 955' ' ' VAL . 1.6 ttp -81.13 -38.86 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.62 -53.72 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' 1005 ' ' ALA . 4.6 pp -64.44 -35.87 82.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.597 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -71.77 -6.65 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -17.31 17.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -38.41 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.793 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.1 m-85 -72.05 -17.87 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.785 HG13 ' H ' ' A' 1010 ' ' MET . 2.2 p -40.15 -67.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.785 ' H ' HG13 ' A' 1009 ' ' VAL . 0.4 OUTLIER -43.62 -59.48 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 111.052 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.58 ' O ' ' CB ' ' A' 1012 ' ' SER . 90.1 m -36.66 -79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.3 m 152.72 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' 1013 ' ' LEU . 0.9 OUTLIER -61.78 -12.16 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' 1013 ' ' LEU . 17.7 tt0 -34.68 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -41.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' 1013 ' ' LEU . 7.9 tt0 -64.52 -51.42 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 25.7 m-85 -68.92 -27.16 65.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1014 ' ' GLN . 20.7 mmtm -65.37 -43.55 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.61 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -51.01 -51.98 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.446 ' SD ' HD23 ' A' ' 998' ' ' LEU . 2.3 tmm? -47.82 -57.11 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' 1022 ' ' LEU . 2.9 tm? -41.87 -49.41 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -46.29 -51.51 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.26 96.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -50.25 -35.01 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.59 -55.86 17.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.611 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.41 81.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.651 HD21 ' CB ' ' A' ' 994' ' ' ASP . 8.8 mt -56.08 -67.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.73 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.95 -43.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' 1033 ' ' LYS . 39.0 t -69.23 -49.43 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' 1028 ' ' LEU . 67.2 m-20 -43.88 -64.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.44 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -54.85 -25.5 29.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.1 OUTLIER -72.26 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -40.07 -31.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' 1033 ' ' LYS . 3.2 tp -61.97 -70.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.861 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.74 -38.81 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.42 -43.08 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.491 HG11 ' HB2' ' A' ' 983' ' ' GLU . 24.6 t -71.16 -33.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.668 ' CG1' HD11 ' A' ' 984' ' ' ILE . 25.9 mt -63.28 -48.94 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -45.04 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.595 ' HA ' HD21 ' A' 1044 ' ' LEU . 6.1 mt-30 -73.83 -20.74 60.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.234 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.755 ' HB2' HG23 ' A' ' 980' ' ' THR . . . -81.36 -55.17 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -45.04 -42.71 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' 1045 ' ' LYS . 4.4 pp -72.06 -33.04 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.638 ' N ' HD12 ' A' 1044 ' ' LEU . 5.7 tmtm? -50.71 -21.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 26.3 ttp -91.51 -26.14 18.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.6 mm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -38.12 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 924' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 1.7 tptp -60.04 -46.91 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 968' ' ' THR . 4.2 t -63.82 -41.04 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.926 ' CE1' HD21 ' A' 1036 ' ' LEU . 4.5 m-30 -70.37 -15.43 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 930' ' ' THR . 9.4 mm-40 -82.46 -66.61 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 924' ' ' LYS . 9.1 m120 -40.67 -41.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.78 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.509 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.7 p -47.79 -48.83 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -59.62 -23.92 59.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -79.82 -58.05 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.627 ' CG1' ' HB3' ' A' 1032 ' ' ALA . 15.7 m -65.49 -27.74 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -67.18 -38.57 85.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -74.54 -55.15 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' 1028 ' ' LEU . 0.4 OUTLIER -39.34 -35.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 938' ' ' GLU . 20.6 mt -85.02 -66.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -32.69 -54.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 8.7 ttm -41.21 -65.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.841 ' CB ' HD23 ' A' 1022 ' ' LEU . 18.8 p -39.98 -38.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -60.53 -46.7 89.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.86 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -109.39 28.85 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.546 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.3 OUTLIER -94.93 -52.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.24 -54.45 5.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.97 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.86 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -30.75 129.66 0.26 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.08 -13.98 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.64 -30.36 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.471 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -93.52 -5.79 48.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.9 -43.86 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.15 -47.94 55.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.06 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -34.17 -51.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.881 HG21 ' HB2' ' A' 1002 ' ' MET . 18.6 t -66.67 -47.27 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -45.82 -39.77 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 957' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 960' ' ' LEU . 7.0 tt0 -59.74 -61.54 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 83.1 t -41.68 -34.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.9 83.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 960' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -55.36 -40.95 71.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -57.29 -41.43 79.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.584 HD11 ' HG ' ' A' ' 991' ' ' LEU . 1.5 mm? -58.94 -51.64 69.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -58.51 5.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 55.5 m -60.09 -46.07 90.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 1.064 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.2 tm? -47.47 -46.8 27.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 962' ' ' LEU . 0.3 OUTLIER -51.65 -64.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.09 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.526 HG22 HG22 ' A' ' 925' ' ' VAL . 1.8 m -51.17 -37.03 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 1.064 HG23 ' O ' ' A' ' 965' ' ' LEU . 61.4 t -65.26 -40.71 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.897 ' HA ' HD12 ' A' ' 973' ' ' LEU . 4.2 t70 -51.64 -32.52 29.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 975' ' ' VAL . 20.5 mt-10 -73.39 -23.09 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.57 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.0 OUTLIER -85.53 -28.86 24.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.897 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.2 OUTLIER -40.44 -51.58 6.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 51.4 t -53.56 -34.54 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.865 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.2 mm? -109.03 157.39 37.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.449 ' O ' ' NZ ' ' A' 1045 ' ' LYS . . . -69.63 166.01 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 76.97 31.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.637 ' HB ' HD12 ' A' ' 984' ' ' ILE . 0.6 OUTLIER -116.85 -60.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.873 ' HB3' HD21 ' A' ' 973' ' ' LEU . 1.9 p-80 -44.88 -49.03 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -48.55 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.516 ' CB ' HG11 ' A' 1038 ' ' VAL . 7.4 mt-10 -51.69 -43.81 62.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.637 HD12 ' HB ' ' A' ' 980' ' ' THR . 84.3 mt -57.52 -32.88 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -64.85 -41.67 95.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.0 mtm -71.99 -18.44 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.94 -24.12 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -74.84 -40.31 61.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -37.21 67.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -41.57 77.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' A' ' 962' ' ' LEU . 8.8 tp -66.71 -60.11 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.12 -48.52 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 3.3 t -47.09 -71.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.583 ' HB3' HD21 ' A' 1028 ' ' LEU . 5.7 m-20 -50.96 -36.64 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.534 HD11 HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -55.11 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.03 -51.47 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.62 -43.06 84.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.787 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.94 -44.85 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 33.1 mm -52.14 -45.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' 1001 ' ' LYS . 11.3 t-20 -71.26 -46.48 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' 1000 ' ' ASN . 14.3 mmtp -39.02 -36.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.881 ' HB2' HG21 ' A' ' 955' ' ' VAL . 13.4 tmm? -75.93 -55.52 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -49.6 -30.42 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' 1007 ' ' GLN . 21.7 mt -82.66 -61.81 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' 1009 ' ' VAL . . . -44.65 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.414 ' HG2' ' CB ' ' A' ' 948' ' ' PRO . 0.1 OUTLIER -52.12 -36.38 51.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1007 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1004 ' ' LEU . 6.3 tt0 -97.78 -31.64 12.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.637 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 50.8 m-85 -88.46 30.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.61 HG23 ' HG3' ' A' 1014 ' ' GLN . 7.5 p -121.01 -49.27 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.592 ' HE2' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.84 51.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.592 HG23 ' HE2' ' A' 1010 ' ' MET . 1.1 p -145.86 -66.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 5.1 p 167.87 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.613 HD12 ' CD1' ' A' 1017 ' ' TYR . 0.8 OUTLIER -81.62 51.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.61 ' HG3' HG23 ' A' 1009 ' ' VAL . 8.4 tt0 -76.63 -65.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -47.64 -24.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -68.23 -59.74 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -74.22 -30.66 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.75 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -48.68 78.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -43.07 -53.64 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -44.72 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.841 HD23 ' CB ' ' A' ' 940' ' ' SER . 2.4 tm? -56.14 -47.82 77.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.7 m -42.61 -54.71 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.4 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.8 93.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -48.39 -37.67 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -57.06 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.16 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.787 ' CD1' HD13 ' A' ' 998' ' ' LEU . 7.6 mt -56.21 -65.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -39.5 -40.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 14.9 t -71.81 -52.08 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.438 ' OD2' HD23 ' A' 1028 ' ' LEU . 72.1 m-20 -43.38 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.627 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.17 -32.99 62.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -66.42 -50.44 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.66 -23.28 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.26 -68.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.926 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.39 -40.54 96.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.6 -51.32 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.516 HG11 ' CB ' ' A' ' 983' ' ' GLU . 11.1 t -62.3 -38.53 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.865 HG23 ' HG ' ' A' ' 976' ' ' LEU . 12.2 mt -64.35 -41.71 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -39.14 62.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.546 ' HA ' HD21 ' A' 1044 ' ' LEU . 1.9 mt-30 -77.85 -18.54 56.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.633 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -84.36 -44.7 13.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -56.99 -39.81 75.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' 1045 ' ' LYS . 4.5 pp -74.25 -32.0 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -50.16 -21.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' 1044 ' ' LEU . 21.0 ttp -91.09 -25.66 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.5 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.519 ' N ' HD21 ' A' ' 922' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -42.67 58.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 924' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 0.5 OUTLIER -41.02 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.953 HG21 ' HB2' ' A' ' 972' ' ' SER . 65.1 t -48.76 -62.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.712 ' CE1' ' CD2' ' A' 1036 ' ' LEU . 0.2 OUTLIER -38.87 -62.59 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 928' ' ' ASN . 2.1 mm-40 -42.57 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 927' ' ' GLU . 14.1 m120 -39.58 -65.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' 1036 ' ' LEU . 84.7 t -39.93 -59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 2.0 m -55.34 -61.8 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 932' ' ' LEU . . . -43.88 -73.96 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -37.8 -39.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.743 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -69.98 -56.3 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 931' ' ' GLY . 0.2 OUTLIER -52.32 -21.45 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -85.12 -49.61 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 933' ' ' VAL . 0.3 OUTLIER -39.77 -38.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.7 mt -83.91 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.88 -47.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 943' ' ' ILE . 28.3 ttm -49.14 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.554 ' CB ' HD23 ' A' 1022 ' ' LEU . 4.9 m -41.57 -36.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.93 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.89 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -111.17 28.1 9.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -95.06 -49.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.23 -53.08 24.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -35.39 124.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 176.84 9.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.451 ' O ' ' NE2' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.99 -14.36 21.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 -14.78 36.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.499 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 3.7 tt0 -114.66 -9.53 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.681 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 8.7 t80 -89.62 -37.7 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.847 HG23 ' NE2' ' A' 1006 ' ' GLN . 1.0 OUTLIER -48.83 -48.02 71.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -29.06 -65.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.609 ' CG1' HD13 ' A' ' 999' ' ' ILE . 2.5 t -58.86 -47.96 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.56 -39.65 35.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -41.03 87.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 995' ' ' LEU . 97.8 t -57.89 -36.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.75 -44.96 91.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -42.27 91.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.38 95.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 966' ' ' LEU . 0.0 OUTLIER -61.95 -46.98 86.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 963' ' ' ARG . . . . . 0.438 ' N ' HD23 ' A' ' 962' ' ' LEU . 3.3 mtt180 -50.8 -51.44 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.824 ' O ' HG23 ' A' ' 968' ' ' THR . 2.9 m -64.97 -35.06 79.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.872 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.9 OUTLIER -56.51 -38.56 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.8 mp -62.29 -50.48 71.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.87 -57.58 12.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 964' ' ' THR . 56.6 p -51.39 -39.96 58.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 965' ' ' LEU . 15.8 t -56.35 -46.57 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -49.83 -41.34 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 975' ' ' VAL . 2.5 tt0 -73.69 -22.08 60.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.953 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.2 OUTLIER -85.23 -24.01 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.1 OUTLIER -46.34 -53.01 25.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -31.79 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 971' ' ' GLU . 11.1 t -47.12 -32.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.789 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.0 OUTLIER -110.12 154.31 42.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.455 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.5 Cg_endo -74.95 155.26 43.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -57.18 107.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.46 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.599 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 3.4 t -110.83 10.2 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -52.74 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -44.35 -58.7 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 987' ' ' ALA . 1.1 mt-10 -49.88 -47.19 52.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.497 HD11 HG12 ' A' 1039 ' ' ILE . 4.3 mt -51.8 -50.59 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -44.05 87.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -26.58 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -70.78 -26.69 63.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.489 ' HG2' HD11 ' A' 1035 ' ' LEU . 4.6 mt-30 -74.56 -48.91 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.97 -34.65 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -56.39 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 54.4 tp -51.09 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -43.47 -53.05 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.661 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.4 m-20 -50.24 -40.96 49.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 958' ' ' VAL . 0.3 OUTLIER -54.27 -60.82 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 996' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.83 -53.36 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.69 -44.26 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.728 HD13 ' CD1' ' A' 1028 ' ' LEU . 1.9 tt -63.85 -43.99 94.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.609 HD13 ' CG1' ' A' ' 955' ' ' VAL . 14.2 mm -57.33 -48.15 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.44 -46.59 79.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -45.78 -45.02 14.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.519 ' HB2' HG21 ' A' ' 955' ' ' VAL . 4.9 ttp -64.3 -43.42 94.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.02 -27.73 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 43.9 mt -81.42 -58.78 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.681 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -40.84 -43.45 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.847 ' NE2' HG23 ' A' ' 952' ' ' VAL . 1.1 tp60 -41.91 -43.51 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -34.14 10.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' 1017 ' ' TYR . 37.8 m-85 -87.72 39.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' 1014 ' ' GLN . 2.6 p -112.4 -45.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.537 ' O ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -86.98 57.98 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.537 HG23 ' O ' ' A' 1010 ' ' MET . 1.2 p -155.07 20.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1014 ' ' GLN . 0.9 OUTLIER 73.34 -54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -38.66 -26.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' 1012 ' ' SER . 0.4 OUTLIER -30.88 -69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.1 OUTLIER -36.62 -49.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' 1013 ' ' LEU . 6.9 tp10 -65.39 -59.24 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.705 ' CZ ' ' CG ' ' A' 1008 ' ' TYR . 0.4 OUTLIER -45.59 -37.29 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.48 ' CD ' ' HG2' ' A' 1014 ' ' GLN . 0.6 OUTLIER -59.72 -45.41 92.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 -40.83 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -53.75 -58.21 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -47.49 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' 1022 ' ' LEU . 1.9 tm? -52.77 -53.55 46.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.5 m -39.4 -51.95 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.69 76.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -44.85 -37.34 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -56.73 15.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.728 ' CD1' HD13 ' A' ' 998' ' ' LEU . 11.6 mt -58.59 -66.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.743 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -38.29 -38.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.7 t -76.82 -49.73 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1028 ' ' LEU . 35.8 t0 -44.61 -58.92 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.563 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -58.38 -33.35 69.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' 1037 ' ' ASP . 0.0 OUTLIER -66.26 -57.36 7.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 12.4 t30 -46.88 -30.81 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.846 ' O ' HG12 ' A' 1038 ' ' VAL . 5.4 tt -59.25 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.712 ' CD2' ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -66.78 -35.4 79.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1037 ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' 1033 ' ' LYS . 30.5 t0 -47.78 -56.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.846 HG12 ' O ' ' A' 1035 ' ' LEU . 11.0 p -58.52 -32.12 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.789 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.9 mt -67.14 -45.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 7.5 t0 -48.62 -39.27 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.619 ' HA ' HD21 ' A' 1044 ' ' LEU . 6.5 mt-30 -72.82 -26.89 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.44 -45.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -50.99 -47.56 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' 1045 ' ' LYS . 4.3 pp -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.773 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.55 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.5 OUTLIER -80.54 -55.47 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 924' ' ' LYS . 0.0 OUTLIER -75.53 -32.08 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 924' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 923' ' ' ASP . 2.3 ttmt -60.77 -58.15 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.885 ' O ' HG23 ' A' ' 929' ' ' VAL . 86.4 t -58.63 -41.11 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 1.082 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.2 m-85 -68.26 -19.77 64.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.7 OUTLIER -76.11 -68.19 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -44.13 -38.46 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 925' ' ' VAL . 78.1 t -58.07 -54.39 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' GLY . 4.9 p -73.62 -59.67 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.64 -49.01 0.99 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -71.52 -50.35 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -52.14 -35.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 0.1 OUTLIER -61.56 -47.73 84.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -65.05 -44.68 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.423 HG23 HD12 ' A' ' 932' ' ' LEU . 14.4 t -39.9 -45.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 938' ' ' GLU . 1.7 mp -84.46 -63.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.4 -43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 942' ' ' LYS . 1.4 ttp -49.0 -71.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.555 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.9 t -40.04 -31.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.946 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.59 71.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.852 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -104.38 23.44 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.956 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.47 -51.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.31 -54.54 5.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.98 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.852 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.01 127.95 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.463 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -75.0 177.18 8.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.503 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.98 -20.15 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.81 -17.73 40.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.466 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -109.94 -2.87 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.956 ' CE1' HD11 ' A' ' 943' ' ' ILE . 6.5 t80 -92.31 -36.17 13.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.58 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -52.49 -47.36 93.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.505 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -30.71 -53.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.811 HG21 ' CB ' ' A' 1002 ' ' MET . 51.3 t -65.76 -52.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 953' ' ' PRO . 1.5 mmtt -40.14 -37.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -60.08 3.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -45.31 -42.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.467 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -56.6 -48.04 79.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -43.99 74.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.07 81.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.969 HD13 HD13 ' A' ' 995' ' ' LEU . 1.6 mt -60.69 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.93 -55.72 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 -35.76 73.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.8 tm? -53.7 -53.92 45.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 8.2 mp -46.64 -55.61 7.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.8 87.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.529 HG22 HG22 ' A' ' 925' ' ' VAL . 90.1 m -52.23 -47.1 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 965' ' ' LEU . 86.8 t -60.11 -38.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 9.0 t70 -50.08 -37.4 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.505 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.1 mt-10 -77.22 -23.29 51.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.695 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.2 OUTLIER -85.76 -28.56 24.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.07 -50.92 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.94 -36.19 2.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 15.1 t -47.37 -30.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.738 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.3 mm? -109.08 159.86 29.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 979' ' ' SER . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -66.28 73.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 977' ' ' PRO . 19.3 t -147.6 -43.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.068 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.889 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 1.4 t -91.32 -7.37 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -54.01 -57.75 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.634 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.08 -66.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.34 -40.25 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.707 HD11 ' CG1' ' A' 1039 ' ' ILE . 14.0 mt -55.18 -49.06 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -23.0 61.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.62 69.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -62.18 -54.49 40.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -57.66 -26.62 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -53.65 35.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 11.2 tp -57.42 -50.63 72.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.428 ' HA ' HD23 ' A' ' 995' ' ' LEU . 0.9 OUTLIER -49.29 -59.52 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 993' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 992' ' ' ASN . 44.6 t -38.73 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' 1028 ' ' LEU . 12.7 t0 -53.59 -40.62 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.969 HD13 HD13 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -50.02 -56.29 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.8 -40.99 70.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.47 -40.3 96.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.962 HD13 ' CD1' ' A' 1028 ' ' LEU . 3.2 tt -68.82 -35.96 77.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.686 HD13 ' CG1' ' A' ' 955' ' ' VAL . 32.6 mm -65.62 -43.1 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.593 ' O ' HD23 ' A' 1004 ' ' LEU . 35.0 t30 -68.13 -46.41 70.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -35.31 8.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.811 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -81.38 -26.06 35.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' 1002 ' ' MET . 8.3 mtmt -64.2 -50.13 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' 1000 ' ' ASN . 0.1 OUTLIER -66.0 -56.15 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.612 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -42.15 -46.04 4.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 0.3 OUTLIER -40.81 -43.81 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -97.23 -29.33 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.763 ' CG ' ' CE2' ' A' 1017 ' ' TYR . 33.4 m-85 -89.63 26.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.895 HG23 ' HG3' ' A' 1014 ' ' GLN . 12.9 p -118.46 -51.18 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.738 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.99 52.62 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.738 HG23 ' CE ' ' A' 1010 ' ' MET . 0.7 OUTLIER -144.9 -70.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' 1008 ' ' TYR . 0.2 OUTLIER -80.99 50.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.895 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.9 OUTLIER -85.16 -70.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -37.06 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.3 tp10 -72.18 -66.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.763 ' CE2' ' CG ' ' A' 1008 ' ' TYR . 4.6 m-85 -59.14 -21.52 59.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.557 ' CE ' HD12 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -71.64 -40.83 69.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -60.04 -60.34 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' 1022 ' ' LEU . 5.4 ptm -53.89 -24.09 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.751 HD13 ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -73.81 -49.61 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 14.5 m -42.81 -51.72 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.29 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -52.38 -36.23 53.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -55.59 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.12 75.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.962 ' CD1' HD13 ' A' ' 998' ' ' LEU . 9.4 mt -58.67 -65.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.62 -40.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.4 t -73.8 -49.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.89 -58.95 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.52 65.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -65.38 -62.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.638 ' O ' HG23 ' A' 1038 ' ' VAL . 11.1 t-20 -40.42 -39.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.94 -67.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1036 ' ' LEU . . . . . 1.082 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -64.39 -42.21 96.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1037 ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' 1036 ' ' LEU . 2.5 t70 -39.87 -52.5 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 1034 ' ' ASN . 65.4 t -61.07 -41.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.738 HG23 ' HG ' ' A' ' 976' ' ' LEU . 10.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' 1044 ' ' LEU . 0.0 OUTLIER -73.48 -20.05 60.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.889 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -90.41 -39.08 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -51.42 -55.27 19.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' 1045 ' ' LYS . 0.0 OUTLIER -66.64 -34.28 77.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' 1044 ' ' LEU . 6.6 tmtm? -48.77 -27.01 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.8 ttm -81.88 -27.93 33.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' 1044 ' ' LEU . 7.7 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 1.6 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.24 -45.49 39.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -53.36 58.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 929' ' ' VAL . 12.0 t -56.71 -47.14 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.798 ' CE1' HD21 ' A' 1036 ' ' LEU . 3.4 m-85 -64.68 -28.8 69.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.36 -68.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.562 ' OD1' HG21 ' A' ' 968' ' ' THR . 15.0 m120 -43.67 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 925' ' ' VAL . 74.4 t -41.99 -59.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.7 p -66.72 -64.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.42 -47.57 0.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.32 -51.67 34.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -54.82 -29.78 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.05 -49.09 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.48 95.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.468 HG23 HD12 ' A' ' 932' ' ' LEU . 41.1 t -40.24 -48.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' 1029 ' ' ALA . 1.4 mp -84.35 -61.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.4 OUTLIER -36.15 -49.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 29.4 ttm -47.66 -63.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.56 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 89.2 p -43.77 -33.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -40.19 93.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.896 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.8 OUTLIER -112.96 25.42 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.63 -48.57 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.15 -54.42 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -74.99 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -31.66 128.56 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.476 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.02 -15.83 20.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.64 -24.53 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.465 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -99.93 -5.23 28.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.588 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -92.81 -40.39 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -49.9 -46.83 81.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -75.01 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.511 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -33.41 -51.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 999' ' ' ILE . 54.6 t -66.55 -50.04 70.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -45.2 -32.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -42.72 70.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.691 HG13 HD11 ' A' ' 995' ' ' LEU . 0.4 OUTLIER -55.0 -46.81 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.444 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -54.77 -45.69 78.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.74 90.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 1.016 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -65.52 -38.57 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 963' ' ' ARG . . . . . 0.742 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -61.32 -56.3 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 968' ' ' THR . 3.6 m -56.41 -34.68 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.968 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.1 tm? -51.28 -47.81 62.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 966' ' ' LEU . 4.2 mt -57.7 -50.79 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -57.9 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 964' ' ' THR . 62.8 p -40.6 -46.09 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 965' ' ' LEU . 69.1 t -53.18 -46.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 973' ' ' LEU . 33.4 t0 -51.62 -28.82 15.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.847 ' O ' HG23 ' A' ' 975' ' ' VAL . 3.7 tt0 -75.17 -23.78 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.446 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.0 OUTLIER -86.09 -21.26 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.2 OUTLIER -48.07 -53.31 34.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 971' ' ' GLU . 48.0 t -59.63 -29.55 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.9 OUTLIER -105.97 158.36 32.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.764 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.68 168.27 19.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.05 34.08 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.85 HG21 ' HB3' ' A' ' 976' ' ' LEU . 0.8 OUTLIER -113.93 -55.89 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.871 ' HB3' HD21 ' A' ' 973' ' ' LEU . 1.8 p80 -48.15 -62.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -33.1 -71.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -61.18 -45.94 92.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.558 HD12 ' HB ' ' A' ' 980' ' ' THR . 45.3 mt -53.89 -39.61 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.696 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.8 OUTLIER -58.36 -48.7 79.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.8 mtm -65.03 -17.82 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 987' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' 1035 ' ' LEU . . . -84.73 -29.17 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.415 ' OE1' HG21 ' A' ' 969' ' ' VAL . 2.0 mm100 -75.7 -45.12 38.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -44.51 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 965' ' ' LEU . 14.3 tp -64.26 -63.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -46.16 -40.45 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 43.8 t -54.62 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.719 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.2 m-20 -45.48 -35.58 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.691 HD11 HG13 ' A' ' 958' ' ' VAL . 0.2 OUTLIER -61.81 -67.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 996' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.75 -53.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -56.08 -48.33 76.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.606 HD13 ' C ' ' A' ' 998' ' ' LEU . 2.3 tm? -61.91 -44.6 96.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 955' ' ' VAL . 19.8 mm -58.26 -41.27 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.43 -48.04 44.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' 1004 ' ' LEU . 1.8 tptt -60.39 -61.92 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.639 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -46.16 -31.82 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.0 OUTLIER -64.61 -37.8 88.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' 1001 ' ' LYS . 5.6 mt -80.16 -37.33 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -45.99 -39.17 8.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.621 ' O ' HG12 ' A' 1009 ' ' VAL . 1.3 mp0 -51.48 -42.66 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -30.22 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.513 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.9 m-85 -87.71 39.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.868 HG23 ' HG3' ' A' 1014 ' ' GLN . 7.1 p -127.4 -44.74 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -26.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.719 HG23 ' H ' ' A' 1013 ' ' LEU . 9.3 t -104.48 -163.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' 1011 ' ' THR . 7.4 p -79.24 -27.09 42.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.731 HD13 ' HB3' ' A' 1016 ' ' GLU . 0.2 OUTLIER -41.91 -28.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.868 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.6 OUTLIER -37.12 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -37.06 -33.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.731 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.3 OUTLIER -65.71 -62.2 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.553 ' HD1' HD12 ' A' 1013 ' ' LEU . 1.6 m-85 -58.91 -41.88 88.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.407 ' HD2' HG23 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -52.36 -34.93 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1019 ' ' LYS . . . . . 0.426 ' HE2' ' CA ' ' A' 1019 ' ' LYS . 0.2 OUTLIER -78.62 -24.24 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.44 -59.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' 1022 ' ' LEU . 4.3 ppp? -55.6 -35.61 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.653 HD13 ' C ' ' A' 1022 ' ' LEU . 2.5 tm? -58.8 -48.63 80.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 24.0 m -50.75 -44.5 58.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1024 ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' 1028 ' ' LEU . . . -66.27 -42.22 88.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.415 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -57.36 -34.32 68.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -69.43 -51.87 32.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.04 79.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.719 HD21 ' CB ' ' A' ' 994' ' ' ASP . 11.5 mt -59.13 -66.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.755 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -38.89 -40.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.2 t -74.43 -53.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -44.61 -55.13 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 1.185 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.489 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -57.06 -34.51 68.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.3 tptt -70.14 -51.65 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.1 t30 -48.96 -34.82 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.436 ' CB ' ' HB1' ' A' ' 987' ' ' ALA . 3.4 tt -59.4 -68.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.798 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -48.15 -37.52 15.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' 1042 ' ' ALA . 2.7 t -78.48 -25.72 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.514 HG23 HD11 ' A' ' 976' ' ' LEU . 13.9 mt -69.85 -58.34 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.9 -53.68 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.768 ' HA ' HD21 ' A' 1044 ' ' LEU . 19.1 pt20 -63.89 -29.18 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.852 ' HB3' HD12 ' A' ' 976' ' ' LEU . . . -70.46 -50.55 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.43 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 2.1 ttp-105 -44.81 -67.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.768 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.1 pp -41.79 -44.17 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' 1042 ' ' ALA . 0.2 OUTLIER -39.42 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.454 ' N ' ' C ' ' A' 1044 ' ' LEU . 10.5 ttp -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.1 t0 -76.63 -33.07 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.17 57.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.53 -56.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.863 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.5 m-30 -59.43 -31.18 69.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 27.0 mm-40 -73.39 -52.22 14.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -50.62 -49.02 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.725 HG22 HD12 ' A' ' 965' ' ' LEU . 49.2 t -56.59 -60.08 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.3 p -49.93 -52.58 32.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -57.98 -30.32 63.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.32 -57.77 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 0.719 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' 1032 ' ' ALA . 27.0 m -64.77 -36.1 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 930' ' ' THR . 9.4 mmtt -57.69 -33.95 68.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -84.37 -46.68 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.498 HG23 HD12 ' A' ' 932' ' ' LEU . 5.0 t -38.12 -41.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 938' ' ' GLU . 25.7 mt -83.77 -65.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -31.09 -45.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 942' ' ' LYS . 2.1 ttp -49.6 -70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.518 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 79.6 p -38.69 -34.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.4 m -64.93 -49.38 70.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.845 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.11 24.09 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.772 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.81 -51.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.491 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -43.13 -53.36 10.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.845 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -32.69 128.41 0.36 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.469 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.92 177.24 8.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.04 -20.34 16.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.78 56.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -117.35 -2.89 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.772 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.2 t80 -92.57 -41.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -49.89 -47.49 80.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.469 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -31.93 -54.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.784 HG11 ' HA ' ' A' ' 999' ' ' ILE . 42.7 t -66.97 -50.11 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.8 OUTLIER -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -61.45 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.448 ' O ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -45.14 -44.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.417 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.5 -41.0 79.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -51.98 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -40.3 -59.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.81 ' HG ' HD22 ' A' ' 995' ' ' LEU . 3.6 mm? -44.04 -55.65 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.61 -55.35 6.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 968' ' ' THR . 11.6 m -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.826 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.2 OUTLIER -53.63 -40.84 66.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.0 mp -58.17 -58.95 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.22 -57.92 7.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 964' ' ' THR . 77.0 p -49.72 -42.74 46.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 965' ' ' LEU . 38.8 t -60.15 -41.2 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -49.14 -42.63 40.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.2 mt-10 -70.99 -23.39 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.736 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.19 -27.46 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.2 OUTLIER -41.34 -53.83 6.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -34.37 3.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.2 t -46.47 -32.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.852 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.7 OUTLIER -110.02 154.21 42.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.01 -165.24 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.797 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -65.53 161.31 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 m 87.81 16.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.554 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 2.1 p -116.54 -55.96 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 12.7 p80 -46.81 -21.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 980' ' ' THR . 12.4 tpp180 -83.21 -69.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.996 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.2 OUTLIER -61.76 -41.16 97.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 4.9 mt -56.48 -55.77 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 3.8 tm-20 -52.76 -43.36 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -27.22 64.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -79.61 -15.67 57.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -84.75 -47.8 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 989' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 993' ' ' SER . 6.1 tmtt? -56.81 -43.83 81.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.753 HD12 HD22 ' A' 1028 ' ' LEU . 33.8 tp -51.94 -46.16 64.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.506 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.8 t-20 -61.87 -38.5 88.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 993' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 989' ' ' LYS . 29.0 t -58.82 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.656 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.4 m-20 -53.21 -22.19 6.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.81 HD22 ' HG ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -65.07 -59.97 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 996' ' ' ALA . . . . . 0.412 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -55.25 -53.71 52.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -24.54 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' 1028 ' ' LEU . 0.3 OUTLIER -71.85 -53.3 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.784 ' HA ' HG11 ' A' ' 955' ' ' VAL . 1.5 mp -49.04 -48.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 3.0 t-20 -62.57 -51.35 67.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 11.7 mmtt -39.81 -36.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.574 ' HB2' HG21 ' A' ' 955' ' ' VAL . 9.8 tmm? -76.68 -57.67 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' 1002 ' ' MET . 4.0 mtpm? -42.51 -28.31 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' 1002 ' ' MET . 9.6 mt -83.66 -57.12 3.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -40.62 -31.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.797 ' O ' HG12 ' A' 1009 ' ' VAL . 0.9 OUTLIER -56.54 -54.17 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.56 -7.4 57.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 20.0 m-85 -108.09 27.34 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' 1006 ' ' GLN . 5.3 p -119.13 -35.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.5 ' CE ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -81.48 16.29 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.5 ' HB ' ' CE ' ' A' 1010 ' ' MET . 4.7 t -134.11 9.12 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.2 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.495 HD12 ' CD1' ' A' 1008 ' ' TYR . 0.2 OUTLIER -62.43 -14.03 36.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.549 ' HB2' HG23 ' A' 1009 ' ' VAL . 1.8 tt0 -44.06 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 3.4 pp0? -36.65 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.9 tt0 -69.53 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 5.8 m-85 -69.95 -10.48 58.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.29 -52.05 25.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -31.01 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -59.64 -61.74 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' 1022 ' ' LEU . 2.1 ptm -54.04 -24.37 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.495 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -73.78 -45.55 51.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.3 m -46.66 -46.74 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.81 58.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1025 ' ' ALA . . . . . 0.425 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -58.73 -31.56 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1026 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.9 OUTLIER -75.27 -53.26 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.37 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.753 HD22 HD12 ' A' ' 991' ' ' LEU . 8.3 mt -56.21 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.485 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -38.21 -46.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1030 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -70.82 -53.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -42.87 -53.36 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.834 ' HB3' HG11 ' A' ' 933' ' ' VAL . . . -55.78 -39.34 71.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' 1030 ' ' VAL . 2.3 tppt? -65.67 -44.06 87.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -56.49 -33.66 66.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.44 -62.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.863 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.31 -41.05 94.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -40.06 -50.93 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.996 HG11 ' HB3' ' A' ' 983' ' ' GLU . 51.2 t -62.81 -41.76 93.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.852 HG23 ' HG ' ' A' ' 976' ' ' LEU . 18.9 mt -58.77 -45.67 91.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1040 ' ' ASP . . . . . 0.5 ' HA ' ' CD ' ' A' 1043 ' ' ARG . 0.5 OUTLIER -50.46 -40.68 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' 1045 ' ' LYS . 28.5 mt-30 -75.52 -18.51 59.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -79.96 -64.38 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.5 ' CD ' ' HA ' ' A' 1040 ' ' ASP . 0.0 OUTLIER -38.24 -64.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' 1045 ' ' LYS . 4.2 pp -52.24 -38.87 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.622 ' N ' HD12 ' A' 1044 ' ' LEU . 0.6 OUTLIER -42.98 -27.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.424 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -90.9 -56.28 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.43 -28.42 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 968' ' ' THR . 68.4 t -56.37 -45.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.8 m-85 -66.87 -34.61 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -66.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -45.18 -41.0 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 930' ' ' THR . 2.1 t -55.74 -63.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.444 ' N ' HG12 ' A' ' 929' ' ' VAL . 3.3 p -55.09 -65.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.81 -36.88 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.864 HD23 HG13 ' A' ' 933' ' ' VAL . 0.0 OUTLIER -68.86 -72.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.864 HG13 HD23 ' A' ' 932' ' ' LEU . 8.1 m -48.27 -30.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.17 -38.55 86.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.8 -49.38 12.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 935' ' ' ALA . 3.7 t -36.9 -39.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 938' ' ' GLU . 11.3 mt -84.82 -68.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -32.51 -48.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.4 ttp -47.27 -66.38 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' 1022 ' ' LEU . 1.5 m -38.17 -37.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -63.85 -51.81 62.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.858 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -98.72 25.13 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.614 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.09 -49.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.2 -53.19 17.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.96 -50.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.77 123.27 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.471 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.05 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.471 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -15.18 20.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.83 -26.34 21.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.539 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -102.02 -12.67 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.73 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 16.5 t80 -89.86 -31.14 17.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.607 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.5 t -50.65 -46.55 85.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.05 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -31.47 -64.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.958 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.851 HG21 ' HB2' ' A' 1002 ' ' MET . 25.1 t -56.42 -51.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -47.71 -35.06 9.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -39.5 91.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -56.83 -41.95 76.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -57.92 -39.36 91.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -41.23 86.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -73.12 -41.84 63.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 1.018 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -68.11 -39.59 82.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 963' ' ' ARG . . . . . 0.745 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -62.64 -51.24 68.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 968' ' ' THR . 21.3 m -59.1 -27.95 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.4 OUTLIER -56.56 -57.05 14.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 5.6 mp -46.62 -52.46 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.69 -55.19 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -52.54 -36.25 55.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 965' ' ' LEU . 56.2 t -64.46 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 12.2 t70 -50.6 -39.72 50.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.4 mt-10 -69.57 -23.08 63.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 972' ' ' SER . . . . . 1.002 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -83.83 -32.35 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.3 OUTLIER -36.58 -53.13 1.81 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -40.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 971' ' ' GLU . 66.2 t -51.99 -34.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 972' ' ' SER . 0.2 OUTLIER -108.57 159.3 31.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.488 ' O ' HG23 ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.478 ' HB1' ' CD2' ' A' ' 981' ' ' HIS . . . -63.23 -13.17 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 54.6 p -59.94 -18.98 49.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.807 HG22 ' HB1' ' A' 1042 ' ' ALA . 0.7 OUTLIER -106.08 40.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.478 ' CD2' ' HB1' ' A' ' 978' ' ' ALA . 1.7 m-70 -84.79 -95.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.401 ' HB3' ' HE3' ' A' ' 986' ' ' MET . 84.0 mtt180 -54.07 -44.43 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -50.26 -46.38 54.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 988' ' ' GLN . 4.4 mt -68.12 -35.23 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.56 -41.29 98.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 986' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' A' ' 982' ' ' ARG . 2.6 mtm -69.85 -35.82 75.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.13 62.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.664 ' NE2' HG11 ' A' ' 969' ' ' VAL . 3.0 mm100 -83.29 -42.95 16.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -25.63 67.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -57.36 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.63 -48.73 39.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.458 ' HA ' HD23 ' A' ' 995' ' ' LEU . 7.5 t30 -57.29 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 993' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 992' ' ' ASN . 0.3 OUTLIER -38.49 -56.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 1.033 ' CB ' HD11 ' A' 1028 ' ' LEU . 46.1 m-20 -61.87 -41.93 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.573 HD22 HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -47.94 -50.51 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.28 64.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -56.64 -28.4 60.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -48.83 16.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.462 ' CG1' HD12 ' A' ' 995' ' ' LEU . 3.4 mm -59.32 -53.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.08 -52.07 67.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -47.54 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.851 ' HB2' HG21 ' A' ' 955' ' ' VAL . 3.7 tmm? -60.32 -50.41 73.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -50.97 -28.74 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.83 -51.22 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.73 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -47.49 -37.95 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.48 ' CD ' ' CG2' ' A' ' 952' ' ' VAL . 0.0 OUTLIER -51.11 -37.28 45.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -28.62 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.692 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.5 m-85 -90.23 30.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.521 HG23 ' HG3' ' A' 1014 ' ' GLN . 6.5 p -117.81 -50.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.42 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -42.01 -26.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.682 HG23 ' HB2' ' A' 1013 ' ' LEU . 4.3 t -106.03 170.18 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 17.1 m -56.03 -20.92 18.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.81 HD13 ' HB3' ' A' 1016 ' ' GLU . 0.2 OUTLIER -51.03 -22.31 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.521 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.0 OUTLIER -41.84 -77.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -39.78 -29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.81 ' HB3' HD13 ' A' 1013 ' ' LEU . 2.9 tt0 -67.82 -61.09 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.692 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 0.8 OUTLIER -65.62 -16.04 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 111.029 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.41 ' CE ' ' HG2' ' A' 1014 ' ' GLN . 0.0 OUTLIER -71.66 -40.53 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1019 ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' 1023 ' ' THR . 2.7 mmpt? -70.38 -31.04 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -64.49 -65.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -50.83 -25.48 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 940' ' ' SER . 0.2 OUTLIER -74.62 -53.86 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1023 ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' 1019 ' ' LYS . 5.9 m -38.32 -45.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1024 ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' 1026 ' ' HIS . . . -77.09 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.81 -25.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1026 ' ' HIS . . . . . 0.439 ' N ' ' C ' ' A' 1024 ' ' ALA . 26.4 t60 -76.06 -62.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.22 95.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1028 ' ' LEU . . . . . 1.033 HD11 ' CB ' ' A' ' 994' ' ' ASP . 1.9 mm? -48.76 -65.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.808 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -39.5 -52.11 2.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.89 -43.87 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.475 ' HA ' ' ND2' ' A' 1034 ' ' ASN . 68.9 m-20 -54.84 -47.96 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.529 ' HB3' HG11 ' A' ' 933' ' ' VAL . . . -58.7 -22.47 57.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -47.11 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.503 ' OD1' ' C ' ' A' 1034 ' ' ASN . 9.7 p30 -60.92 -22.42 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.958 ' O ' HG12 ' A' 1038 ' ' VAL . 0.2 OUTLIER -65.62 -62.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' 1035 ' ' LEU . 0.3 OUTLIER -68.95 -39.65 79.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.16 -40.75 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' 1035 ' ' LEU . 1.2 p -72.16 -26.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.914 HG23 ' HG ' ' A' ' 976' ' ' LEU . 11.4 mt -73.35 -52.4 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -52.31 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.785 ' HA ' HD21 ' A' 1044 ' ' LEU . 15.3 mt-30 -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.807 ' HB1' HG22 ' A' ' 980' ' ' THR . . . -72.33 -57.4 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -38.77 -63.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.785 HD21 ' HA ' ' A' 1041 ' ' GLN . 2.6 pp -47.51 -43.02 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.518 ' N ' HD12 ' A' 1044 ' ' LEU . 8.0 tttp -43.8 -34.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 19.2 ttp -83.7 -49.32 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.985 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.4 OUTLIER -74.99 -45.96 38.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 972' ' ' SER . 23.9 t -74.1 -62.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.951 ' CD1' HD21 ' A' 1036 ' ' LEU . 3.7 m-30 -50.26 -21.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 923' ' ' ASP . 1.5 mm-40 -71.42 -67.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 927' ' ' GLU . 0.5 OUTLIER -38.68 -49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 1.016 HG21 HD13 ' A' 1036 ' ' LEU . 29.3 t -50.55 -56.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' GLY . 10.5 p -68.54 -63.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.3 -59.55 0.63 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -55.96 -50.38 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.774 HG22 ' HA ' ' A' 1029 ' ' ALA . 0.9 OUTLIER -55.82 -55.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 933' ' ' VAL . 0.6 OUTLIER -39.95 -38.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -77.52 -51.69 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.9 -40.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.3 mt -84.41 -68.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.37 -47.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.533 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 13.4 ttm -44.95 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.481 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 22.8 m -38.92 -39.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 941' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 938' ' ' GLU . 3.3 t -59.15 -61.81 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.88 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -91.1 28.62 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.862 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.14 -52.87 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.5 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.08 -52.91 11.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.04 -50.48 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.88 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -31.07 124.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.467 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.51 8.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -14.48 21.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.15 -21.27 22.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.443 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.4 OUTLIER -106.08 -6.34 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.862 ' CE1' HD11 ' A' ' 943' ' ' ILE . 13.6 t80 -92.89 -40.74 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.11 -47.35 81.8 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.82 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.461 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -33.11 -54.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.79 HG11 ' HG2' ' A' 1002 ' ' MET . 2.5 t -66.23 -54.24 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.93 -30.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 957' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -72.55 -52.57 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -53.08 -38.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.596 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -62.35 -41.47 99.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.35 87.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.816 HD13 HD22 ' A' ' 995' ' ' LEU . 1.8 mt -54.03 -47.98 70.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.82 -54.09 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 968' ' ' THR . 1.2 m -61.69 -44.66 96.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 969' ' ' VAL . 3.5 tp -43.2 -47.63 6.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.1 mp -56.39 -58.02 9.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.53 -62.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 964' ' ' THR . 72.8 p -49.64 -44.54 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 965' ' ' LEU . 37.6 t -59.29 -37.88 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 3.6 t70 -49.43 -40.13 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 975' ' ' VAL . 4.3 tt0 -72.61 -22.53 60.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.436 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.2 OUTLIER -86.76 -16.02 37.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.585 HD22 ' ND1' ' A' ' 981' ' ' HIS . 0.2 OUTLIER -53.84 -53.02 62.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -75.0 -35.28 3.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 971' ' ' GLU . 55.8 t -48.69 -29.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.818 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.4 OUTLIER -109.44 164.45 14.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 976' ' ' LEU . 18.2 Cg_endo -74.99 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -83.96 45.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.94 2.21 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.86 HG22 ' CB ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -116.08 -29.67 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.358 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.585 ' ND1' HD22 ' A' ' 973' ' ' LEU . 2.4 m-70 -45.29 -31.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -71.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.925 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.0 OUTLIER -50.73 -44.18 58.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 1.076 HG23 HD11 ' A' 1035 ' ' LEU . 13.7 mt -61.45 -36.11 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -46.76 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.6 mtm -74.92 -22.14 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -82.07 -24.86 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -46.98 13.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -37.66 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 990' ' ' LEU . . . . . 0.539 HD22 ' OD1' ' A' 1031 ' ' ASP . 0.7 OUTLIER -62.99 -49.48 74.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.663 HD21 HD23 ' A' ' 962' ' ' LEU . 30.7 tp -56.23 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.594 ' HA ' HD23 ' A' ' 995' ' ' LEU . 51.4 t30 -40.92 -48.71 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.32 -72.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.47 -21.77 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.816 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -68.55 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 996' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -48.92 -54.7 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.79 -37.39 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.755 HD13 HD12 ' A' 1028 ' ' LEU . 10.5 tt -68.05 -45.46 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 955' ' ' VAL . 45.6 mm -55.06 -52.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.09 -37.82 81.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -46.18 84.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.79 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.37 -23.18 62.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.4 OUTLIER -68.67 -40.63 80.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' 1005 ' ' ALA . 27.6 mt -72.12 -54.54 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.686 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -38.34 -48.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.515 ' O ' HG12 ' A' 1009 ' ' VAL . 1.8 tt0 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -29.33 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.765 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 15.6 m-85 -90.37 34.29 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' 1010 ' ' MET . 11.5 p -124.88 -54.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.546 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -56.31 -40.12 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.696 HG23 ' H ' ' A' 1012 ' ' SER . 0.1 OUTLIER -49.53 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.696 ' H ' HG23 ' A' 1011 ' ' THR . 29.6 t 176.43 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.73 HD23 ' N ' ' A' 1013 ' ' LEU . 0.2 OUTLIER -70.59 57.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' 1009 ' ' VAL . 43.7 tt0 -85.35 -73.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -43.21 -33.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -66.45 -58.02 6.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.765 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 3.3 m-85 -68.05 -13.25 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' 1021 ' ' MET . 0.0 OUTLIER -71.49 -46.8 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -37.93 89.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -50.85 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' 1022 ' ' LEU . 6.0 ptm -55.34 -25.38 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -70.37 -45.68 65.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 22.7 m -47.41 -46.63 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.16 55.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.48 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1026 ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.7 OUTLIER -75.23 -54.38 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.74 81.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 998' ' ' LEU . 10.3 mt -53.65 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -40.95 -43.17 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.5 t -70.96 -43.82 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.539 ' OD1' HD22 ' A' ' 990' ' ' LEU . 72.4 m-20 -54.55 -52.39 62.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.74 -26.63 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1033 ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' 1035 ' ' LEU . 29.8 mmtt -73.46 -63.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' 1038 ' ' VAL . 9.2 m-20 -40.85 -29.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1035 ' ' LEU . . . . . 1.076 HD11 HG23 ' A' ' 984' ' ' ILE . 21.2 tp -62.97 -70.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1036 ' ' LEU . . . . . 1.016 HD13 HG21 ' A' ' 929' ' ' VAL . 0.2 OUTLIER -65.92 -41.38 91.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -42.62 -41.84 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.925 HG11 ' HB3' ' A' ' 983' ' ' GLU . 74.7 t -71.77 -39.25 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.627 ' CG1' HD11 ' A' ' 984' ' ' ILE . 7.6 mt -53.77 -59.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.65 -44.62 27.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.74 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.9 OUTLIER -69.59 -25.83 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.86 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -79.28 -47.86 15.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -45.78 -54.35 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.74 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.0 pp -55.75 -44.91 78.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.51 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -42.87 -32.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 10.5 ttp -85.58 -48.24 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.97 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 10.0 p30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.8 t70 -76.39 -35.25 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -44.35 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 929' ' ' VAL . 31.0 t -58.66 -49.52 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 1.185 ' CD1' HD11 ' A' 1036 ' ' LEU . 7.2 m-30 -65.46 -29.55 70.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -69.88 -52.21 26.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.545 ' OD1' HG21 ' A' ' 968' ' ' THR . 10.9 m120 -55.73 -50.54 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.987 HG22 HD21 ' A' ' 965' ' ' LEU . 84.7 t -50.79 -55.72 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.9 p -60.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -36.25 -53.57 1.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.1 OUTLIER -58.69 -52.08 67.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.2 t -57.03 -56.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 933' ' ' VAL . 0.2 OUTLIER -40.13 -37.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -75.59 -50.09 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.57 -42.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 938' ' ' GLU . 4.1 mt -84.63 -67.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -34.73 -53.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -46.17 -61.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.557 ' HB3' HD23 ' A' 1022 ' ' LEU . 57.8 m -41.85 -37.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 6.4 t -64.78 -55.35 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.881 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.12 24.07 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.36 -54.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.4 tt0 -45.94 -49.92 37.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.881 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.07 135.12 0.66 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 177.57 8.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.55 -28.62 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.557 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -92.85 -8.2 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.609 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -83.42 -49.08 9.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.34 -47.5 57.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.55 ' HE3' HG12 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -28.92 -60.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.746 ' CG1' HD13 ' A' ' 999' ' ' ILE . 6.8 t -60.93 -52.12 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -44.37 -32.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -51.37 59.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -51.29 -36.37 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.15 96.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -38.76 88.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.88 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.922 HD13 ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.18 -34.69 78.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -57.53 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 964' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 968' ' ' THR . 3.4 m -53.61 -29.37 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.987 HD21 HG22 ' A' ' 929' ' ' VAL . 0.0 OUTLIER -58.06 -53.24 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.9 mp -48.81 -49.84 37.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.74 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 964' ' ' THR . 69.9 p -51.79 -37.53 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 965' ' ' LEU . 82.8 t -62.33 -43.35 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.1 t70 -49.12 -38.35 24.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 975' ' ' VAL . 6.4 mt-10 -76.82 -24.28 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.663 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.08 -27.69 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.51 -52.2 10.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.05 -34.02 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 971' ' ' GLU . 21.6 t -46.64 -32.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.856 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.7 OUTLIER -109.81 154.84 42.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 -175.73 2.52 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -54.63 176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.88 29.79 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.649 ' CG2' ' HB1' ' A' 1042 ' ' ALA . 1.0 OUTLIER -117.31 -59.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 985' ' ' GLU . 4.1 p-80 -44.34 -52.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.53 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.716 ' CB ' HG11 ' A' 1038 ' ' VAL . 13.0 mt-10 -54.76 -45.07 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 980' ' ' THR . 8.6 mt -56.64 -30.66 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -65.94 -44.39 85.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.0 mtm -66.86 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.39 -33.22 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.11 -46.7 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -55.32 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 991' ' ' LEU . 0.0 OUTLIER -50.17 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -41.35 -56.79 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 1.026 ' CB ' HD11 ' A' 1028 ' ' LEU . 43.3 m-20 -47.23 -47.56 24.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.922 ' HG ' HD13 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -48.8 -62.39 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 996' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -37.57 -52.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.2 OUTLIER -59.02 -40.81 86.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.746 HD13 ' CG1' ' A' ' 955' ' ' VAL . 6.0 mm -64.89 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -42.43 -36.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -54.33 47.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.641 ' HB3' HG21 ' A' ' 955' ' ' VAL . 0.8 OUTLIER -57.42 -20.06 27.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.6 mtpt -77.38 -29.41 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 23.5 mt -89.48 -50.73 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -47.21 -34.33 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -35.51 70.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.8 -27.8 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.733 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 9.5 m-85 -87.83 26.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.664 HG23 ' HG3' ' A' 1014 ' ' GLN . 4.1 p -113.48 -48.83 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -40.93 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.2 OUTLIER -50.51 -62.08 1.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.6 OUTLIER 161.02 -26.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.657 HD23 ' N ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -78.37 53.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.664 ' HG3' HG23 ' A' 1009 ' ' VAL . 18.7 tt0 -84.46 -75.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -25.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.47 -58.2 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.733 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 4.2 m-85 -65.14 -25.4 67.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.425 ' HG3' HG23 ' A' ' 943' ' ' ILE . 11.5 mptt -67.54 -34.02 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -32.77 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -56.38 -68.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 5.2 ppp? -52.36 -31.19 32.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.699 HD13 ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -61.21 -58.81 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.0 m -39.92 -48.14 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.58 76.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.59 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -59.86 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1028 ' ' LEU . . . . . 1.026 HD11 ' CB ' ' A' ' 994' ' ' ASP . 0.4 OUTLIER -59.16 -61.38 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.69 -43.78 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -73.06 -48.49 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 18.7 t0 -43.47 -48.72 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.83 85.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.85 -38.13 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.62 -36.71 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.06 -61.84 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1036 ' ' LEU . . . . . 1.185 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.32 -39.88 94.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -45.85 -44.08 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.716 HG11 ' CB ' ' A' ' 983' ' ' GLU . 46.9 t -68.3 -31.49 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.856 HG23 ' HG ' ' A' ' 976' ' ' LEU . 13.1 mt -70.91 -40.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -45.89 70.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.561 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.1 pt20 -71.35 -22.82 61.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.649 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -75.18 -47.19 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.99 -36.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 5.1 ttp -80.91 -51.88 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 35.2 t30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 923' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.9 OUTLIER -75.67 -21.16 57.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -61.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 968' ' ' THR . 43.8 t -55.06 -37.47 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 1.043 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -74.87 -21.94 58.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -81.6 -61.08 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -36.24 9.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 925' ' ' VAL . 54.8 t -66.43 -63.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -63.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -47.69 -28.14 5.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.47 -59.16 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.793 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 1029 ' ' ALA . 31.9 m -65.45 -39.09 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -60.08 -30.11 69.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -90.35 -51.43 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 936' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 935' ' ' ALA . 1.2 t -38.23 -37.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 938' ' ' GLU . 19.2 mt -84.33 -64.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.528 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -28.57 -48.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.484 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.1 ttp -42.39 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.527 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.7 m -37.87 -37.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -51.55 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.775 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.11 28.88 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.88 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.77 -50.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.39 -52.9 12.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.81 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 951' ' ' TYR . 18.5 Cg_endo -74.97 176.33 10.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.438 ' HG3' HG21 ' A' 1009 ' ' VAL . 18.2 Cg_endo -75.02 -17.54 19.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.37 -16.79 36.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.88 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.3 t80 -93.17 -40.67 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.687 HG23 ' CD ' ' A' 1006 ' ' GLN . 1.0 OUTLIER -51.44 -47.42 89.05 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.472 ' CE ' HG12 ' A' ' 943' ' ' ILE . 0.4 OUTLIER -32.77 -53.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.53 ' CG1' HD13 ' A' ' 999' ' ' ILE . 93.9 t -68.04 -49.95 63.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 1.5 mmmp? -43.99 -36.23 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 957' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 960' ' ' LEU . 8.4 tt0 -65.47 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 961' ' ' ALA . 48.7 t -43.09 -46.99 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -54.68 -39.89 68.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 960' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.3 OUTLIER -62.45 -35.69 80.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 961' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 958' ' ' VAL . . . -56.25 -46.02 79.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 966' ' ' LEU . 3.4 mm? -54.64 -54.9 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.24 -55.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 27.6 m -64.61 -45.73 85.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.963 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.1 OUTLIER -50.38 -48.99 55.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -48.12 -59.73 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -54.06 -50.24 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.877 HG23 HG22 ' A' ' 925' ' ' VAL . 0.4 OUTLIER -54.85 -36.88 65.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 965' ' ' LEU . 78.1 t -64.02 -43.18 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.418 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.4 t0 -49.96 -35.38 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.6 tt0 -77.5 -23.77 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.528 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.63 -29.49 24.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.17 -51.5 7.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -74.98 -35.06 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 971' ' ' GLU . 16.3 t -47.09 -27.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.799 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.5 mm? -109.3 146.16 33.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.1 Cg_endo -75.05 159.45 41.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -57.72 118.56 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 p 158.82 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.961 ' OG1' HG12 ' A' 1038 ' ' VAL . 10.0 t -116.88 34.88 4.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 982' ' ' ARG . 30.7 m170 -80.76 -78.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 985' ' ' GLU . 6.3 tpt180 -38.24 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.944 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.1 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.74 HD11 ' CG1' ' A' 1039 ' ' ILE . 25.9 mt -60.71 -39.47 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -64.55 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.9 mtp -78.63 -27.87 45.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -76.54 -17.84 59.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 988' ' ' GLN . . . . . 0.49 ' HG2' HD11 ' A' 1035 ' ' LEU . 2.0 mm100 -82.16 -45.91 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -36.96 84.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -40.26 96.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 962' ' ' LEU . 16.0 tp -58.1 -55.16 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.04 -58.14 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 7.9 t -43.67 -59.38 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.777 ' CB ' HD11 ' A' 1028 ' ' LEU . 35.3 m-20 -56.89 -47.19 81.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.2 OUTLIER -49.91 -57.26 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -43.2 -51.25 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -58.05 -34.48 70.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.579 HD11 ' SD ' ' A' 1021 ' ' MET . 0.2 OUTLIER -74.65 -48.07 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.53 HD13 ' CG1' ' A' ' 955' ' ' VAL . 51.2 mm -53.88 -46.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 1003 ' ' LYS . 22.4 t30 -63.09 -49.57 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.553 ' HA ' HD21 ' A' 1004 ' ' LEU . 7.7 mmtm -40.99 -35.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.599 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 1.7 ttp -80.05 -40.72 27.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' 1000 ' ' ASN . 2.7 mtpt -52.55 -50.24 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1004 ' ' LEU . . . . . 0.553 HD21 ' HA ' ' A' 1001 ' ' LYS . 0.5 OUTLIER -66.33 -52.53 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -54.64 -18.52 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.687 ' CD ' HG23 ' A' ' 952' ' ' VAL . 3.3 tp-100 -76.08 -30.35 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.86 -31.08 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.75 ' CE2' ' CZ ' ' A' 1017 ' ' TYR . 2.3 m-85 -71.67 -28.22 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.481 HG13 ' H ' ' A' 1010 ' ' MET . 2.0 p -40.65 -55.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' 1010 ' ' MET . 3.4 ttp -67.47 57.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' 1012 ' ' SER . 31.5 m -160.02 -36.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.9 t 98.96 -5.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.54 ' HG ' ' CG2' ' A' 1011 ' ' THR . 0.3 OUTLIER -83.11 -9.31 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -46.59 -53.07 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -35.64 -42.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -67.09 -59.02 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.75 ' CZ ' ' CE2' ' A' 1008 ' ' TYR . 24.5 m-85 -59.67 -22.26 61.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.8 OUTLIER -69.39 -41.02 77.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -63.11 -33.73 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -62.95 -44.86 94.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1021 ' ' MET . . . . . 0.579 ' SD ' HD11 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -55.92 -42.32 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.503 HD13 ' C ' ' A' 1022 ' ' LEU . 3.3 tm? -61.19 -56.55 19.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1023 ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' 1022 ' ' LEU . 1.8 m -37.62 -49.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.22 64.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.29 -25.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -71.51 -62.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.34 75.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.777 HD11 ' CB ' ' A' ' 994' ' ' ASP . 1.0 OUTLIER -61.07 -64.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.546 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -40.11 -36.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.3 t -78.8 -46.77 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' 1028 ' ' LEU . 7.9 m-20 -43.79 -51.78 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.61 98.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -48.33 64.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.545 ' O ' HG23 ' A' 1038 ' ' VAL . 3.8 m-20 -50.69 -46.0 58.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1035 ' ' LEU . . . . . 0.49 HD11 ' HG2' ' A' ' 988' ' ' GLN . 4.0 tt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1036 ' ' LEU . . . . . 1.043 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.09 -43.99 63.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.2 -44.52 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.961 HG12 ' OG1' ' A' ' 980' ' ' THR . 83.9 t -67.23 -42.67 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.799 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.6 mt -53.74 -53.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -42.38 42.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.759 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.3 mt-30 -61.41 -22.02 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.657 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -79.99 -55.46 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -46.48 -59.87 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -50.36 -46.84 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.637 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -51.21 -26.45 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.475 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 0.8 OUTLIER -95.84 -37.99 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.976 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 922' ' ' ASN . . . . . 0.851 ' N ' HD21 ' A' ' 922' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -74.21 -40.04 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -43.89 93.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 925' ' ' VAL . . . . . 0.842 HG11 ' OG ' ' A' ' 972' ' ' SER . 52.2 t -69.28 -45.11 79.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 926' ' ' TYR . . . . . 0.914 ' CD1' HD11 ' A' 1036 ' ' LEU . 1.8 m-85 -64.32 -23.45 67.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 927' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 931' ' ' GLY . 3.2 mm-40 -69.9 -68.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 928' ' ' ASN . . . . . 0.545 ' OD1' HG21 ' A' ' 968' ' ' THR . 22.2 m120 -47.2 -23.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 925' ' ' VAL . 13.6 t -75.45 -66.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 930' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 926' ' ' TYR . 2.8 t -62.91 -48.64 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 931' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -50.43 -41.04 40.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 932' ' ' LEU . . . . . 0.883 HD23 HG13 ' A' ' 933' ' ' VAL . 0.0 OUTLIER -58.75 -65.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 0.733 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 933' ' ' VAL . . . . . 0.883 HG13 HD23 ' A' ' 932' ' ' LEU . 19.9 m -52.97 -39.23 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 934' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -49.78 -32.26 13.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -87.35 -44.25 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 936' ' ' VAL . . . . . . . . . . . . . 42.3 t -41.63 -47.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 937' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 938' ' ' GLU . 18.4 mt -73.01 -64.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.18 -45.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 939' ' ' MET . . . . . 0.481 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -45.21 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 940' ' ' SER . . . . . 0.616 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.5 p -40.88 -34.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 941' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 1.1 t -57.32 -53.46 57.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.836 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -108.62 32.57 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 943' ' ' ILE . . . . . 0.909 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.24 -51.98 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -42.28 -53.17 9.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.836 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.15 126.87 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 947' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 948' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -13.5 21.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.18 -23.8 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 950' ' ' GLU . . . . . 0.427 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -104.35 -7.21 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 951' ' ' TYR . . . . . 0.909 ' CE1' HD11 ' A' ' 943' ' ' ILE . 34.0 t80 -93.18 -38.2 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 952' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -51.14 -48.17 85.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 953' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -35.06 -68.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 955' ' ' VAL . . . . . 0.748 HG21 ' HG3' ' A' 1002 ' ' MET . 63.3 t -53.05 -54.46 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 956' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 955' ' ' VAL . 2.9 mtpt -39.52 -33.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 957' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.7 OUTLIER -67.33 -58.03 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 958' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -44.56 -46.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 959' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -55.4 -39.8 74.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.26 99.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.96 90.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 962' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 995' ' ' LEU . 4.0 mt -58.69 -52.8 64.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -55.74 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 12.4 m -57.66 -44.17 85.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 1.026 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.2 tt -48.48 -51.59 26.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.534 HD23 HD23 ' A' ' 965' ' ' LEU . 50.6 mt -46.14 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.34 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 968' ' ' THR . . . . . 0.545 HG21 ' OD1' ' A' ' 928' ' ' ASN . 90.6 m -50.73 -47.68 59.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 965' ' ' LEU . 23.1 t -58.77 -37.76 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 970' ' ' ASP . . . . . 0.413 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.2 t70 -48.9 -42.82 38.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 971' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 975' ' ' VAL . 53.1 mt-10 -69.43 -23.06 63.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 972' ' ' SER . . . . . 0.842 ' OG ' HG11 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -84.29 -30.0 25.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 973' ' ' LEU . . . . . 0.493 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -38.32 -52.49 3.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 974' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.01 -36.16 2.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 975' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 971' ' ' GLU . 47.4 t -48.16 -32.18 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.746 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.5 mm? -110.69 160.03 30.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.4 Cg_endo -74.98 149.75 37.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 978' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -49.67 -23.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 87.8 p -43.13 -29.81 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.941 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 980' ' ' THR . . . . . 0.77 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 5.2 t -116.57 45.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 981' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -80.83 -83.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.563 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 982' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 985' ' ' GLU . 25.5 tpp180 -40.01 -63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 983' ' ' GLU . . . . . 0.655 ' HB3' HG11 ' A' 1038 ' ' VAL . 38.0 mt-10 -39.12 -51.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.831 HD11 ' CG1' ' A' 1039 ' ' ILE . 9.1 mt -63.25 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 985' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -63.0 -33.36 75.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 986' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 982' ' ' ARG . 11.7 mtp -81.48 -23.93 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.8 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.35 -50.63 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -43.42 86.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 990' ' ' LEU . . . . . 0.675 HD22 ' OD2' ' A' 1031 ' ' ASP . 1.0 OUTLIER -59.02 -53.36 59.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 991' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 995' ' ' LEU . 14.8 tp -48.83 -54.3 15.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 992' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t30 -55.5 -65.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.78 -56.24 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 994' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.6 OUTLIER -62.04 -34.92 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 995' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 995' ' ' LEU . 0.1 OUTLIER -58.14 -60.23 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.6 26.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -33.53 60.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.657 HD23 ' N ' ' A' ' 999' ' ' ILE . 0.5 OUTLIER -74.33 -48.52 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 999' ' ' ILE . . . . . 0.657 ' N ' HD23 ' A' ' 998' ' ' LEU . 17.1 mm -55.79 -41.95 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1000 ' ' ASN . . . . . 0.409 ' C ' ' N ' ' A' 1002 ' ' MET . 4.5 t-20 -65.74 -56.31 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.2 OUTLIER -39.86 -31.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1002 ' ' MET . . . . . 0.748 ' HG3' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -80.11 -52.22 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1003 ' ' LYS . . . . . 0.404 ' HA ' ' HE1' ' A' 1002 ' ' MET . 6.0 mtmt -49.41 -23.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.3 mt -88.46 -42.16 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1005 ' ' ALA . . . . . 0.743 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -50.81 -22.22 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1006 ' ' GLN . . . . . 0.503 ' O ' HG12 ' A' 1009 ' ' VAL . 6.1 tp60 -73.23 -36.99 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.88 -38.29 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1008 ' ' TYR . . . . . 0.816 ' HD1' HD23 ' A' 1013 ' ' LEU . 70.2 m-85 -85.78 45.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1009 ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' 1010 ' ' MET . 3.4 p -135.31 -45.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1010 ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -28.32 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1011 ' ' THR . . . . . 0.782 HG23 ' H ' ' A' 1012 ' ' SER . 0.0 OUTLIER -45.87 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1012 ' ' SER . . . . . 0.782 ' H ' HG23 ' A' 1011 ' ' THR . 3.0 p 168.84 32.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1013 ' ' LEU . . . . . 0.816 HD23 ' HD1' ' A' 1008 ' ' TYR . 5.2 tp -84.39 -12.23 54.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' 1016 ' ' GLU . 4.7 tt0 -36.73 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1015 ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' 1014 ' ' GLN . 13.3 pt20 -33.56 -36.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.509 ' OE1' HD11 ' A' 1013 ' ' LEU . 5.3 tt0 -66.93 -67.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1017 ' ' TYR . . . . . 0.754 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 2.3 m-85 -62.77 -29.72 70.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.4 ' NZ ' HG21 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -50.6 -51.02 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.39 97.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -51.97 -51.77 54.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -46.2 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' 1026 ' ' HIS . 0.1 OUTLIER -54.6 -40.93 69.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.7 m -51.96 -44.64 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.73 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.75 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1026 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 1022 ' ' LEU . 33.8 t60 -74.88 -54.98 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.46 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1028 ' ' LEU . . . . . 0.513 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -59.62 -62.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1029 ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -43.07 -44.95 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.9 t -69.3 -46.29 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1031 ' ' ASP . . . . . 0.675 ' OD2' HD22 ' A' ' 990' ' ' LEU . 2.0 t70 -45.99 -56.45 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1032 ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -53.93 -36.91 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.55 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1034 ' ' ASN . . . . . 0.739 ' O ' HG23 ' A' 1038 ' ' VAL . 28.1 t30 -42.55 -39.29 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.98 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1036 ' ' LEU . . . . . 0.914 HD11 ' CD1' ' A' ' 926' ' ' TYR . 10.0 tt -61.27 -38.38 86.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.81 -47.66 8.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1038 ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' 1034 ' ' ASN . 12.5 t -64.45 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1039 ' ' ILE . . . . . 0.831 ' CG1' HD11 ' A' ' 984' ' ' ILE . 2.1 mt -59.8 -54.09 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.04 -44.86 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1041 ' ' GLN . . . . . 0.756 ' HA ' HD21 ' A' 1044 ' ' LEU . 4.9 mt-30 -64.46 -20.4 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1042 ' ' ALA . . . . . 0.77 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -83.89 -57.69 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1043 ' ' ARG . . . . . 0.594 ' O ' HD12 ' A' 1047 ' ' ILE . 1.4 ttp180 -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.6 pp -68.09 -49.92 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1045 ' ' LYS . . . . . 0.634 ' N ' HD12 ' A' 1044 ' ' LEU . 15.8 mttm -39.89 -31.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 15.3 ttp -83.88 -52.83 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1047 ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' 1043 ' ' ARG . 2.8 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 15.8 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.511 0.196 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -92.76 -175.53 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.26 89.72 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.76 46.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -91.75 42.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.88 -73.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -32.46 19.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 0.9 OUTLIER -62.36 -15.52 48.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 16.1 t70 -75.49 -43.0 51.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -60.37 -41.75 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.946 HG22 HG22 ' A' ' 968' ' ' THR . 12.2 t -72.24 -51.22 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 1.009 ' CD1' HD11 ' A' 1036 ' ' LEU . 8.5 m-30 -65.39 -15.36 62.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 2.7 mm-40 -77.26 -68.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.447 ' HB3' HD23 ' A' ' 965' ' ' LEU . 1.0 OUTLIER -40.01 -54.3 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.538 HG13 ' HB1' ' A' 1032 ' ' ALA . 73.9 t -46.59 -62.27 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 934' ' ' LYS . 7.6 p -60.75 -65.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.25 -59.02 0.65 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -56.79 -47.19 80.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.4 t -59.89 -62.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.509 ' N ' HG12 ' A' ' 933' ' ' VAL . 1.9 mttt -39.98 -31.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 939' ' ' MET . . . -82.47 -49.56 9.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.518 HG23 HD12 ' A' ' 932' ' ' LEU . 2.9 t -37.98 -38.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 933' ' ' VAL . 4.6 mp -84.14 -65.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -52.97 4.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 3.4 ppp? -50.41 -31.8 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 937' ' ' ILE . 13.1 m -66.29 -39.07 89.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 45.9 t -67.26 -50.67 59.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.829 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -83.13 7.45 15.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.1 OUTLIER -76.99 -61.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.623 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.1 OUTLIER -35.72 -53.6 1.39 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.4 Cg_endo -74.92 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -30.46 122.23 0.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 178.34 7.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.06 -12.23 21.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -92.43 -28.06 17.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.45 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -100.58 -11.77 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.676 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 9.1 t80 -89.8 -41.67 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.815 HG23 ' HG3' ' A' 1006 ' ' GLN . 0.9 OUTLIER -43.52 -49.76 17.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.0 Cg_endo -75.08 -46.31 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 953' ' ' PRO . 5.9 ttp -34.34 -61.66 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.552 ' CG1' HD13 ' A' ' 999' ' ' ILE . 3.2 t -64.38 -42.73 96.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -51.56 -36.47 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -53.99 40.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 995' ' ' LEU . 75.7 t -50.68 -40.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.592 ' HA2' HD12 ' A' ' 995' ' ' LEU . . . -70.75 -37.78 66.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 960' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 960' ' ' LEU . 0.1 OUTLIER -63.82 -41.84 97.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.39 78.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.572 HD11 ' HG ' ' A' ' 991' ' ' LEU . 0.6 OUTLIER -52.95 -54.02 41.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -59.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.894 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.5 OUTLIER -54.07 -48.97 70.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 9.8 mp -48.99 -56.07 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.6 79.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.946 HG22 HG22 ' A' ' 925' ' ' VAL . 23.0 m -56.98 -41.55 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 965' ' ' LEU . 21.9 t -57.51 -47.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -48.13 -41.45 26.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 975' ' ' VAL . 15.7 tt0 -74.54 -24.03 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.572 ' OG ' HG21 ' A' ' 925' ' ' VAL . 0.1 OUTLIER -84.06 -30.07 26.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.546 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.1 OUTLIER -39.46 -52.9 4.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.91 -34.55 3.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.6 t -47.59 -27.1 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.83 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.6 mm? -108.72 157.65 36.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -74.98 148.44 35.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -56.03 118.44 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.4 t 156.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.686 HG21 ' CB ' ' A' 1042 ' ' ALA . 6.6 t -116.05 37.62 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.472 ' NE2' ' N ' ' A' ' 979' ' ' SER . 0.0 OUTLIER -82.36 -77.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -38.99 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -40.03 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.79 HD11 ' CG1' ' A' 1039 ' ' ILE . 6.7 mt -54.04 -51.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.69 -45.84 81.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 26.8 mtp -66.17 -27.77 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.894 ' HB1' HD22 ' A' 1035 ' ' LEU . . . -71.44 -41.19 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -53.05 -51.42 61.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.94 70.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -54.91 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.572 ' HG ' HD11 ' A' ' 962' ' ' LEU . 2.1 tp -56.17 -57.36 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -49.5 17.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -70.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.684 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.8 OUTLIER -48.38 -42.34 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.592 HD12 ' HA2' ' A' ' 959' ' ' GLY . 0.5 OUTLIER -54.7 -62.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.75 -51.49 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.759 HD13 HD11 ' A' 1028 ' ' LEU . 6.2 tt -75.45 -42.84 52.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.552 HD13 ' CG1' ' A' ' 955' ' ' VAL . 6.0 mm -58.92 -48.55 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -57.73 -51.6 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -43.02 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 4.2 ttp -66.64 -59.92 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.14 -31.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1007 ' ' GLN . 10.7 mt -83.07 -57.62 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.676 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -44.66 -38.76 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.815 ' HG3' HG23 ' A' ' 952' ' ' VAL . 0.8 OUTLIER -53.88 -36.51 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1007 ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' 1004 ' ' LEU . 13.3 tt0 -98.66 -29.55 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.629 ' HD1' HD11 ' A' 1013 ' ' LEU . 33.9 m-85 -88.89 32.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.907 HG23 ' HG3' ' A' 1014 ' ' GLN . 6.7 p -120.94 -47.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.956 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -61.52 -18.24 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.956 HG23 ' CE ' ' A' 1010 ' ' MET . 0.0 OUTLIER -70.56 -78.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.98 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.943 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' 1013 ' ' LEU . 3.7 pp -80.03 52.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.907 ' HG3' HG23 ' A' 1009 ' ' VAL . 1.1 tt0 -79.36 -67.51 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -29.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -63.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1017 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -64.34 -38.55 91.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.14 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -49.21 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -43.69 -50.96 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -48.03 61.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -50.04 -47.85 53.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.9 m -45.36 -55.04 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.03 86.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -49.28 -34.35 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.52 -58.19 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.29 77.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.759 HD11 HD13 ' A' ' 998' ' ' LEU . 6.8 mt -55.22 -66.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.54 -43.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.4 t -68.3 -51.36 48.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -46.54 -51.85 14.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.538 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -60.32 -34.7 74.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -68.15 -57.37 6.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.84 -23.63 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.894 HD22 ' HB1' ' A' ' 987' ' ' ALA . 0.4 OUTLIER -64.95 -67.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1036 ' ' LEU . . . . . 1.009 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.9 -41.26 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1037 ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' 1036 ' ' LEU . 51.8 t0 -37.83 -52.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' 1039 ' ' ILE . 0.3 OUTLIER -62.09 -48.83 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.83 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.0 mt -54.21 -45.38 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -36.66 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.683 ' HA ' HD21 ' A' 1044 ' ' LEU . 1.3 mt-30 -70.17 -23.61 63.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.686 ' CB ' HG21 ' A' ' 980' ' ' THR . . . -82.69 -56.96 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.3 ttt-85 -38.91 -47.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' 1045 ' ' LYS . 4.5 pp -63.19 -47.67 81.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.792 ' N ' HD12 ' A' 1044 ' ' LEU . 28.5 tttp -41.18 -28.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 29.1 ttp -88.1 -49.28 7.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' 1048 ' ' SER . 2.2 mt -44.98 -71.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1048 ' ' SER . . . . . 0.484 ' N ' HG22 ' A' 1047 ' ' ILE . 0.1 OUTLIER -78.39 75.66 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -169.71 -65.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.5 t -175.53 90.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 119.39 76.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -80.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 6.0 m80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.562 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.501 0.191 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -55.31 110.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -85.92 137.95 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.78 73.05 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -99.78 -64.6 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 920' ' ' ARG . . . . . 0.484 ' HG2' HG22 ' A' ' 975' ' ' VAL . 3.8 mtm180 -87.45 78.93 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.38 59.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.498 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.8 OUTLIER -75.51 -31.48 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.02 -49.14 66.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.981 HG22 HG22 ' A' ' 968' ' ' THR . 15.4 t -62.71 -40.47 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.666 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.3 m-85 -73.93 -25.26 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 4.2 mm-40 -67.99 -67.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -44.33 -56.05 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 925' ' ' VAL . 53.7 t -40.47 -59.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.5 p -67.0 -64.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.46 -45.17 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -73.16 -51.41 17.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.734 ' O ' HD12 ' A' ' 937' ' ' ILE . 0.9 OUTLIER -52.5 -50.91 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -43.71 65.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.16 -49.32 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.61 HG23 HD12 ' A' ' 932' ' ' LEU . 3.6 t -38.82 -42.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 933' ' ' VAL . 4.4 mp -84.06 -64.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -38.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 942' ' ' LYS . 5.8 ttm -52.41 -68.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.53 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.2 m -41.68 -30.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.7 t -67.33 -45.63 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.67 22.45 15.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.793 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.18 -52.57 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.518 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.7 OUTLIER -39.88 -54.19 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -75.0 -53.8 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -32.47 128.33 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.462 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 177.25 8.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.5 Cg_endo -75.0 -19.2 18.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -16.46 40.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.457 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -110.83 -3.78 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.793 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 3.1 t80 -93.15 -35.99 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' 1006 ' ' GLN . 0.9 OUTLIER -53.17 -47.22 96.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.04 -50.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -34.08 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 999' ' ' ILE . 13.7 t -53.74 -53.76 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 955' ' ' VAL . 1.7 mmtt -38.89 -32.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 957' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.91 -58.33 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.08 -42.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.68 -43.22 94.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -45.41 93.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.37 8.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 1.045 HD13 HD22 ' A' ' 995' ' ' LEU . 2.1 mt -49.77 -50.24 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -59.69 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 5.9 m -61.65 -39.02 89.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 969' ' ' VAL . 4.4 tt -60.84 -36.33 78.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -54.26 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.87 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.981 HG22 HG22 ' A' ' 925' ' ' VAL . 31.5 m -52.65 -44.37 66.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 965' ' ' LEU . 6.3 t -54.9 -45.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -48.25 -44.21 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.496 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 7.5 mt-10 -72.9 -22.09 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.588 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.3 OUTLIER -85.51 -27.64 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.69 -51.47 9.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.0 -36.89 2.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.532 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 7.3 t -47.02 -32.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.81 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -110.14 144.65 30.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -58.96 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.2 OUTLIER 85.51 -44.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.714 ' OG1' HG22 ' A' 1038 ' ' VAL . 11.7 t -111.65 40.88 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -83.97 -84.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 985' ' ' GLU . 0.0 OUTLIER -55.98 -54.38 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.606 ' HB3' HG21 ' A' 1038 ' ' VAL . 0.4 OUTLIER -40.62 -43.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 1.082 HD11 ' CG1' ' A' 1039 ' ' ILE . 0.3 OUTLIER -65.78 -45.05 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.6 OUTLIER -60.29 -36.67 78.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -36.16 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -65.7 -21.23 66.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.654 ' CD ' HG21 ' A' ' 969' ' ' VAL . 3.5 mm-40 -79.41 -45.76 18.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -39.19 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 990' ' ' LEU . . . . . 0.57 HD22 ' OD2' ' A' 1031 ' ' ASP . 0.7 OUTLIER -61.17 -47.12 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.751 HD21 HD23 ' A' ' 962' ' ' LEU . 39.2 tp -54.42 -53.19 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t-20 -56.78 -61.76 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.87 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.53 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.93 -30.12 70.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 1.045 HD22 HD13 ' A' ' 962' ' ' LEU . 0.4 OUTLIER -67.71 -58.13 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -45.59 -47.57 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -54.79 -36.32 64.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.531 ' C ' HD23 ' A' ' 998' ' ' LEU . 7.0 tt -71.69 -46.64 58.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.508 HD13 ' CG1' ' A' ' 955' ' ' VAL . 3.5 mm -51.11 -48.79 30.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 41.7 t30 -57.01 -54.99 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -42.54 -36.51 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -79.29 -45.53 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -28.11 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.48 -50.49 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.595 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -50.55 -27.64 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.639 ' HG3' HG23 ' A' ' 952' ' ' VAL . 20.9 tm0? -62.35 -34.09 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.9 -26.22 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.712 ' HD1' HD11 ' A' 1013 ' ' LEU . 21.6 m-85 -88.67 23.87 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.609 HG23 ' HG3' ' A' 1014 ' ' GLN . 3.1 p -109.88 -45.72 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.505 ' CE ' ' OG1' ' A' 1011 ' ' THR . 0.0 OUTLIER -68.66 -13.22 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.529 HG22 ' N ' ' A' 1012 ' ' SER . 1.2 m -73.05 -83.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.529 ' N ' HG22 ' A' 1011 ' ' THR . 0.2 OUTLIER -178.32 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.712 HD11 ' HD1' ' A' 1008 ' ' TYR . 1.9 pp -79.41 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.609 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.8 OUTLIER -77.72 -60.18 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.401 ' N ' ' OE1' ' A' 1014 ' ' GLN . 2.0 pt20 -47.9 -24.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -70.42 -61.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.564 ' HD1' HD12 ' A' 1013 ' ' LEU . 3.0 m-85 -63.23 -14.44 49.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.405 ' HE2' ' CA ' ' A' 1018 ' ' LYS . 0.0 OUTLIER -75.96 -45.18 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -13.99 61.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -73.3 -66.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' 1022 ' ' LEU . 5.4 ppp? -52.55 -33.43 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.759 HD13 ' C ' ' A' 1022 ' ' LEU . 1.6 tm? -58.37 -56.37 22.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -43.33 -48.47 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.53 -27.37 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -56.96 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.63 -35.05 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.53 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -61.13 -63.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.641 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -41.58 -40.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.7 t -73.25 -49.88 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.57 ' OD2' HD22 ' A' ' 990' ' ' LEU . 5.4 t0 -40.23 -54.34 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.35 80.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 7.1 tptt -55.78 -40.34 72.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -56.94 -45.54 82.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.552 ' O ' HG12 ' A' 1038 ' ' VAL . 5.8 tt -46.22 -54.71 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -70.82 -42.0 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -41.02 -59.56 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.714 HG22 ' OG1' ' A' ' 980' ' ' THR . 5.9 p -55.31 -40.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1039 ' ' ILE . . . . . 1.082 ' CG1' HD11 ' A' ' 984' ' ' ILE . 10.7 mt -61.46 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -40.17 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.686 ' HA ' HD21 ' A' 1044 ' ' LEU . 33.1 mt-30 -70.1 -22.74 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.609 ' HB2' ' CG2' ' A' ' 980' ' ' THR . . . -84.74 -41.22 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.591 ' O ' HD12 ' A' 1047 ' ' ILE . 0.2 OUTLIER -52.43 -44.83 65.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -66.05 -46.95 75.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.494 ' N ' HD12 ' A' 1044 ' ' LEU . 14.2 mttm -40.92 -29.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' 1044 ' ' LEU . 13.1 ttp -87.86 -55.8 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' 1043 ' ' ARG . 2.4 mt -48.41 -42.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -51.48 62.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 85.33 5.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.42 -77.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -102.3 132.98 20.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.591 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.456 0.169 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.18 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -88.02 70.58 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.81 62.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 919' ' ' ASP . . . . . 0.479 ' CA ' ' OD1' ' A' ' 922' ' ' ASN . 6.2 p-10 -110.09 43.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -88.18 -53.39 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 3.3 m -77.5 -34.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 25.8 p-10 -71.31 -8.2 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.02 -45.59 26.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -59.37 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.893 ' O ' HG23 ' A' ' 929' ' ' VAL . 91.6 t -44.06 -52.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 1.052 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -61.65 -37.91 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.68 -54.83 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -50.05 -38.34 37.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 925' ' ' VAL . 83.9 t -66.32 -62.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.1 p -44.97 -63.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.41 -28.13 13.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 936' ' ' VAL . 0.2 OUTLIER -73.6 -61.93 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' 1029 ' ' ALA . 15.8 m -60.23 -35.45 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.7 mmpt? -56.02 -40.4 73.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.22 -43.72 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 932' ' ' LEU . 6.2 t -39.03 -42.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 938' ' ' GLU . 60.2 mt -84.79 -66.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -32.47 -41.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 36.2 ttm -49.79 -71.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 48.2 m -40.96 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -48.92 69.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.6 OUTLIER -103.61 23.75 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 1.007 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.16 -52.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.509 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 2.0 tt0 -42.97 -52.32 11.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.97 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.79 133.26 0.43 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.95 177.39 8.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.04 -16.07 20.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 -25.72 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.444 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -98.14 -6.01 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 1.007 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.94 -45.78 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -48.75 -48.15 70.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.788 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.473 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 4.8 ttp -33.95 -52.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.67 HG21 ' CG ' ' A' 1002 ' ' MET . 2.3 t -62.73 -55.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.24 -34.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -58.93 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -40.27 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -62.08 -39.68 97.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -39.89 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.98 73.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.908 HD13 HD22 ' A' ' 995' ' ' LEU . 2.1 mt -55.62 -50.53 69.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -48.56 -55.26 11.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 15.0 m -62.08 -38.5 89.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.95 -41.46 67.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 8.6 mp -57.81 -58.1 9.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.23 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.459 ' C ' HG22 ' A' ' 925' ' ' VAL . 26.1 p -49.46 -45.86 47.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.427 ' H ' ' HG1' ' A' ' 968' ' ' THR . 2.7 t -57.66 -40.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.66 -33.85 35.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 975' ' ' VAL . 12.7 mt-10 -81.7 -23.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.549 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -85.1 -33.86 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 984' ' ' ILE . 0.8 OUTLIER -39.89 -50.93 5.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.537 ' HD2' ' C ' ' A' ' 971' ' ' GLU . 18.3 Cg_endo -74.98 -35.14 3.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 971' ' ' GLU . 26.3 t -48.49 -26.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.82 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.8 mm? -107.54 158.05 34.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.1 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 977' ' ' PRO . . . -47.17 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 15.4 m 68.84 26.85 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.617 ' CG2' ' HB1' ' A' 1042 ' ' ALA . 1.0 OUTLIER -116.45 -63.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 1.8 p80 -43.49 -27.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 980' ' ' THR . 1.4 ttp180 -77.69 -68.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.929 ' HB3' HG11 ' A' 1038 ' ' VAL . 15.7 mt-10 -56.75 -44.26 81.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.633 HG21 HD21 ' A' ' 973' ' ' LEU . 1.6 mp -58.02 -32.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -68.56 -39.23 81.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.21 62.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.78 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -78.66 -26.83 45.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -57.06 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.637 HD21 HD23 ' A' ' 962' ' ' LEU . 22.3 tp -51.1 -63.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.58 ' HA ' HD23 ' A' ' 995' ' ' LEU . 0.6 OUTLIER -42.79 -55.87 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.24 -70.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -53.66 -33.97 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.908 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.55 -59.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -58.31 -49.44 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.16 -29.32 30.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 998' ' ' LEU . 0.8 OUTLIER -75.6 -53.1 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.639 HD13 HG13 ' A' ' 955' ' ' VAL . 34.1 mm -44.48 -41.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.449 ' CG ' HD11 ' A' 1004 ' ' LEU . 52.8 t30 -59.45 -61.59 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' 1004 ' ' LEU . 1.4 mptt -47.5 -23.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.67 ' CG ' HG21 ' A' ' 955' ' ' VAL . 0.5 OUTLIER -87.12 -53.04 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.2 mtpt -52.38 -29.72 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' 1001 ' ' LYS . 1.5 mt -78.03 -51.06 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' 1009 ' ' VAL . . . -39.28 -48.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.484 ' HG3' HG23 ' A' ' 952' ' ' VAL . 5.3 tm0? -39.18 -46.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.47 -34.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 54.9 m-85 -87.65 39.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' 1014 ' ' GLN . 4.5 t -129.27 -48.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -36.36 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' 1013 ' ' LEU . 9.9 t -104.4 161.76 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -44.12 -32.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.766 ' HB2' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -40.25 -29.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' 1009 ' ' VAL . 1.4 tt0 -35.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 20.3 pt20 -37.09 -40.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.672 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.3 OUTLIER -54.7 -56.4 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.662 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 6.1 m-85 -67.5 -30.42 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.412 ' HD2' HG23 ' A' ' 943' ' ' ILE . 12.0 mmtt -53.86 -39.13 65.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1019 ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -71.69 -44.28 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -52.16 -59.14 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.477 ' HG2' ' CD2' ' A' ' 998' ' ' LEU . 0.0 OUTLIER -49.65 -41.8 43.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' 1022 ' ' LEU . 3.3 tm? -57.74 -43.26 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -49.54 -49.62 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.42 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -51.43 -31.53 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.21 -56.89 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.73 76.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' 1028 ' ' LEU . 9.3 mt -55.06 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.621 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -38.6 -42.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -69.03 -53.84 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -41.52 -63.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.507 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -52.86 -32.94 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.0 OUTLIER -68.9 -57.34 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.61 -30.92 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.19 -68.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1036 ' ' LEU . . . . . 1.052 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -63.41 -40.04 96.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1037 ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' 1036 ' ' LEU . 28.1 t0 -39.01 -53.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.929 HG11 ' HB3' ' A' ' 983' ' ' GLU . 76.8 t -60.3 -43.47 93.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.82 HG23 ' HG ' ' A' ' 976' ' ' LEU . 11.3 mt -56.38 -46.88 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -49.69 -38.07 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.53 ' HA ' HD21 ' A' 1044 ' ' LEU . 7.7 mt-30 -77.39 -23.3 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.617 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -80.65 -46.17 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -51.94 -49.22 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.851 HD12 ' N ' ' A' 1045 ' ' LYS . 4.4 pp -60.14 -42.9 95.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.851 ' N ' HD12 ' A' 1044 ' ' LEU . 1.1 tptp -40.06 -31.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.1 OUTLIER -82.81 -50.84 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.3 mt -49.05 -43.76 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.38 58.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -96.8 -23.12 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 172.31 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.038 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.41 125.92 60.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 916' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 918' ' ' LEU . . . -46.12 111.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -75.67 76.88 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 918' ' ' LEU . . . . . 0.449 HD13 ' HB1' ' A' ' 916' ' ' ALA . 3.0 mp -124.2 109.11 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.07 -174.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -82.47 52.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.2 m -85.48 -86.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.513 ' HB3' HG11 ' A' ' 975' ' ' VAL . 11.8 p-10 -70.67 -8.73 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -76.04 -45.96 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -63.78 -54.35 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.871 ' O ' HG23 ' A' ' 929' ' ' VAL . 23.3 t -49.51 -54.58 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.963 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -61.38 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.13 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.639 ' HB3' HD12 ' A' ' 965' ' ' LEU . 1.1 t-20 -53.01 -24.12 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 925' ' ' VAL . 37.4 t -72.97 -39.29 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 926' ' ' TYR . 45.8 p -83.58 -29.09 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -62.51 -60.37 7.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.978 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -60.57 -40.31 91.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.978 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.3 t -65.22 -45.83 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -55.37 -48.39 74.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.64 -45.1 72.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 932' ' ' LEU . 1.6 t -37.62 -41.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 938' ' ' GLU . 9.7 mt -84.8 -67.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -36.81 -42.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.92 -62.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.785 ' CB ' HD23 ' A' 1022 ' ' LEU . 0.1 OUTLIER -50.16 -38.71 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -47.19 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.745 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.36 20.61 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 940' ' ' SER . 1.3 mt -96.51 -61.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.563 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -47.1 -48.32 54.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -74.98 -13.93 21.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -89.44 135.09 31.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.441 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.99 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -74.98 -20.99 16.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -11.05 56.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -116.88 -3.51 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' 1002 ' ' MET . 1.1 t80 -92.14 -41.24 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -48.64 -47.83 70.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.03 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.543 ' HE1' ' HA ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -33.57 -52.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 999' ' ' ILE . 0.4 OUTLIER -65.62 -50.52 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.49 ' N ' ' CG1' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -40.17 -35.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.19 -54.56 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -42.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -59.39 -44.37 96.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -50.9 71.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.96 55.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 995' ' ' LEU . 5.3 mt -55.78 -52.8 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 963' ' ' ARG . . . . . 0.528 ' HA ' HD23 ' A' ' 966' ' ' LEU . 0.0 OUTLIER -49.19 -55.7 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.822 ' O ' HG23 ' A' ' 968' ' ' THR . 3.5 m -50.77 -34.06 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.9 OUTLIER -55.41 -51.8 65.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 963' ' ' ARG . 2.8 mm? -48.43 -44.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -67.08 -63.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 964' ' ' THR . 73.2 p -44.17 -42.6 6.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 965' ' ' LEU . 57.2 t -55.62 -47.87 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.934 ' HA ' HD12 ' A' ' 973' ' ' LEU . 5.1 t0 -53.05 -22.4 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.489 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 4.9 tt0 -79.88 -21.3 44.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.513 ' OG ' HG11 ' A' ' 925' ' ' VAL . 0.0 OUTLIER -89.14 -15.24 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.934 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.3 OUTLIER -58.24 -50.34 88.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.03 -40.51 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 922' ' ' ASN . 20.9 t -58.56 -25.75 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.3 OUTLIER -105.67 164.06 15.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.58 5.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.33 53.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.71 7.62 3.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.912 HG22 ' CB ' ' A' 1042 ' ' ALA . 1.1 p -117.95 39.52 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 984' ' ' ILE . 30.3 m170 -84.46 -110.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -44.32 -33.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.793 ' HB3' HG11 ' A' 1038 ' ' VAL . 2.5 mt-10 -60.91 -42.72 98.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.802 HD11 HG13 ' A' 1039 ' ' ILE . 22.6 mm -73.29 -38.16 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.27 -27.4 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -43.65 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.01 46.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.526 ' OE1' HD13 ' A' ' 966' ' ' LEU . 1.6 mm100 -76.51 -51.06 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -50.98 67.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 995' ' ' LEU . 26.7 tp -45.44 -67.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.402 ' HA ' HD23 ' A' ' 995' ' ' LEU . 32.6 t-20 -50.5 -61.66 2.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 23.2 t -41.13 -60.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.551 ' CG ' HD21 ' A' 1028 ' ' LEU . 0.9 OUTLIER -59.4 -38.72 81.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -53.27 -57.74 9.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.83 -46.01 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.95 -33.77 57.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 8.5 tt -75.8 -50.64 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.599 HD13 HG22 ' A' ' 955' ' ' VAL . 21.2 mm -53.54 -50.62 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 11.9 t30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 2.3 tptt -52.96 -47.74 67.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -62.66 -51.12 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -42.42 -42.43 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' 1008 ' ' TYR . 8.1 mt -77.51 -36.64 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' 1002 ' ' MET . . . -51.97 -21.6 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -91.6 -24.1 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1007 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.9 OUTLIER -95.9 -11.11 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.804 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 0.2 OUTLIER -102.04 -37.67 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' 1011 ' ' THR . 3.0 p -41.13 -42.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.748 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -36.76 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.748 HG23 ' CE ' ' A' 1010 ' ' MET . 73.1 p -96.96 -139.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 -4.56 10.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' 1016 ' ' GLU . 3.3 mm? -65.68 -11.62 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.447 ' OE1' ' NE2' ' A' ' 944' ' ' GLN . 1.2 tt0 -36.86 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.71 -32.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -66.84 -54.96 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.804 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 1.4 m-85 -69.51 -24.81 63.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.43 ' HE3' HG22 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -62.13 -42.34 99.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -32.85 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -56.84 -61.74 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 943' ' ' ILE . 13.4 ptm -59.29 -25.67 64.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.785 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.4 tm? -67.69 -47.48 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.8 m -50.7 -47.16 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.75 93.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.72 -31.15 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -57.27 8.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -68.69 -35.58 77.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.551 HD21 ' CG ' ' A' ' 994' ' ' ASP . 0.2 OUTLIER -59.28 -63.63 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.518 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.7 -44.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.85 -45.17 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' 1028 ' ' LEU . 3.5 t70 -41.8 -55.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.69 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -56.51 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -43.28 -42.0 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 3.8 tt -48.76 -65.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.963 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.59 -39.21 91.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -43.15 -44.23 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 983' ' ' GLU . 67.7 t -68.86 -38.46 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.802 HG13 HD11 ' A' ' 984' ' ' ILE . 4.5 mt -56.87 -51.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.68 -43.4 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.769 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.0 OUTLIER -70.84 -29.35 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.912 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -72.57 -48.62 38.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.449 ' CA ' HD13 ' A' ' 976' ' ' LEU . 0.0 OUTLIER -46.01 -64.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' 1041 ' ' GLN . 2.2 pp -43.38 -44.18 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.567 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -41.46 -31.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 30.8 ttp -88.11 -53.24 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.5 mt -46.13 -54.35 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 83.0 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.01 88.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 20.1 t 42.76 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -68.65 122.2 83.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -69.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.498 0.189 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -96.92 -171.5 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.47 113.91 22.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.26 109.48 14.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.73 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.62 36.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 89.5 p -85.9 -58.5 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.1 p30 -65.47 -19.16 65.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.01 -36.31 61.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -55.22 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 968' ' ' THR . 11.9 t -57.69 -45.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.919 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -65.37 -29.47 70.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.67 -64.31 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.591 ' OD1' HG21 ' A' ' 968' ' ' THR . 18.9 m120 -44.48 -51.02 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.592 ' O ' HD13 ' A' ' 932' ' ' LEU . 3.9 t -43.72 -56.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 926' ' ' TYR . 81.3 p -70.24 -24.06 63.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -61.73 -76.16 0.26 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.902 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -50.7 -39.93 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.902 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.5 t -60.53 -58.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.85 -35.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -80.74 -47.04 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.9 t -38.33 -40.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.0 mt -82.44 -68.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -37.0 -46.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.471 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 40.0 mtp -44.7 -60.25 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.579 ' HB2' HD23 ' A' 1022 ' ' LEU . 74.3 p -46.82 -39.03 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.911 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -88.35 29.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.2 OUTLIER -93.89 -60.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.561 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -41.89 -49.41 10.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.02 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.84 124.52 0.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 951' ' ' TYR . 18.1 Cg_endo -75.07 177.74 8.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.99 -13.31 21.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.45 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -105.17 -11.08 16.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 947' ' ' PRO . 16.6 t80 -90.79 -40.1 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.63 -48.79 48.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.451 ' CE ' ' HE3' ' A' ' 942' ' ' LYS . 2.8 ttm -34.85 -54.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' 1002 ' ' MET . 37.2 t -65.65 -53.41 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -43.31 -38.75 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 957' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.3 OUTLIER -59.14 -62.15 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -39.82 -39.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -58.55 -50.55 65.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 960' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.5 OUTLIER -52.45 -49.47 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 961' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 932' ' ' LEU . . . -51.58 -54.2 30.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.791 HD13 HD13 ' A' ' 995' ' ' LEU . 2.5 mt -55.73 -49.33 73.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -53.59 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 4.7 m -62.0 -41.91 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.985 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.0 OUTLIER -51.7 -50.43 60.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 962' ' ' LEU . 9.9 mp -47.71 -57.43 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.03 84.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.855 HG22 HG22 ' A' ' 925' ' ' VAL . 10.2 m -53.87 -44.82 70.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 965' ' ' LEU . 22.3 t -55.35 -46.27 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 40.5 t0 -49.1 -39.23 27.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 975' ' ' VAL . 6.4 mt-10 -73.46 -24.0 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.993 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.33 -30.56 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.585 HD22 ' CE1' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -38.4 -52.26 3.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.95 -36.9 2.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.792 ' C ' HD13 ' A' ' 976' ' ' LEU . 55.1 t -47.99 -33.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 972' ' ' SER . 0.0 OUTLIER -102.8 151.62 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 979' ' ' SER . . . -53.05 111.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 978' ' ' ALA . 10.1 p 167.52 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.961 ' OG1' HG12 ' A' 1038 ' ' VAL . 5.4 t -108.6 0.15 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.585 ' CE1' HD22 ' A' ' 973' ' ' LEU . 7.9 m-70 -49.92 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.71 -67.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.786 ' CB ' HG11 ' A' 1038 ' ' VAL . 38.8 mt-10 -45.89 -43.54 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.938 HD11 HG12 ' A' 1039 ' ' ILE . 2.8 mt -62.63 -41.75 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -45.43 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -21.0 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.453 ' NE2' HG21 ' A' ' 969' ' ' VAL . 2.5 mm-40 -73.67 -43.86 58.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -63.23 -27.34 69.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 990' ' ' LEU . . . . . 0.533 HD22 ' OD1' ' A' 1031 ' ' ASP . 0.5 OUTLIER -72.24 -58.5 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.663 HD21 HD23 ' A' ' 962' ' ' LEU . 40.8 tp -56.89 -56.55 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 995' ' ' LEU . 16.3 t30 -46.1 -45.46 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.76 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.554 ' HB3' HD21 ' A' 1028 ' ' LEU . 1.8 m-20 -49.28 -30.52 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.791 HD13 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -59.43 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.59 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -45.39 -34.08 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.573 HD12 HG13 ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.38 -51.66 28.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.411 HD13 HG12 ' A' ' 955' ' ' VAL . 17.7 mm -56.11 -49.72 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.67 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -45.38 4.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.642 ' CB ' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -63.01 -47.88 81.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -53.61 -22.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' 1008 ' ' TYR . 12.4 mt -91.54 -44.03 9.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -52.86 -19.39 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.472 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 2.3 tt0 -88.06 -28.45 21.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1007 ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' 1004 ' ' LEU . 2.4 tm0? -100.25 -4.14 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.493 ' CZ ' ' OH ' ' A' 1017 ' ' TYR . 10.5 m-85 -112.05 -8.66 14.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1011 ' ' THR . 2.4 p -73.42 -38.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.555 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.555 HG23 ' CE ' ' A' 1010 ' ' MET . 62.3 p -104.37 -108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.455 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -156.42 23.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' 1014 ' ' GLN . 1.2 mm? -81.12 -25.92 36.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -37.53 -59.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -42.6 -50.05 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.7 -55.22 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.493 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 17.6 m-85 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 8.3 mttm -48.15 -36.82 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -30.18 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1020 ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' 1017 ' ' TYR . 76.6 mm-40 -62.47 -60.7 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 4.6 ppp? -58.31 -31.17 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.579 HD23 ' HB2' ' A' ' 940' ' ' SER . 2.7 tm? -56.6 -50.1 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.5 m -56.27 -41.49 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.84 81.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -61.66 -31.76 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -72.72 -50.91 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.588 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.31 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 994' ' ' ASP . 10.3 mt -55.62 -67.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.37 -45.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -67.64 -48.45 76.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.533 ' OD1' HD22 ' A' ' 990' ' ' LEU . 26.0 m-20 -49.5 -57.59 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.62 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' 1035 ' ' LEU . 3.0 tptt -69.7 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' 1038 ' ' VAL . 9.2 p30 -45.16 -26.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' 1034 ' ' ASN . 5.9 tt -62.28 -67.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.919 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -41.02 -52.03 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.961 HG12 ' OG1' ' A' ' 980' ' ' THR . 84.5 t -63.44 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.956 HG23 ' HG ' ' A' ' 976' ' ' LEU . 54.6 mt -59.84 -43.13 91.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1040 ' ' ASP . . . . . 0.542 ' O ' ' CD2' ' A' 1044 ' ' LEU . 1.1 t0 -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -62.24 -25.43 67.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -75.67 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 1042 ' ' ALA . 4.1 ttp-105 -35.28 -66.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' 1040 ' ' ASP . 0.2 OUTLIER -47.91 -47.07 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -44.22 -26.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -84.96 -47.24 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.3 -69.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.53 72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 174.93 -168.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 29.8 t -92.2 76.04 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 109.29 1.39 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.32 16.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.511 0.196 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.41 -49.34 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -86.3 109.59 19.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.72 109.46 13.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.77 47.16 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.98 -37.29 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -65.51 -24.59 67.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 927' ' ' GLU . 17.7 t0 -77.63 -39.9 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -56.55 -48.66 76.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 968' ' ' THR . 61.2 t -56.28 -46.74 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.716 ' CD1' HD11 ' A' 1036 ' ' LEU . 5.6 m-30 -71.19 -25.39 62.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 923' ' ' ASP . 13.6 mm-40 -71.68 -42.72 67.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -53.62 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.591 HG22 HD12 ' A' ' 965' ' ' LEU . 9.9 t -48.52 -52.04 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.2 p -59.48 -57.43 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.3 -25.08 25.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.795 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -75.68 -59.88 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.561 ' O ' HD12 ' A' ' 937' ' ' ILE . 29.4 m -63.3 -35.19 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -38.32 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -86.45 -45.64 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 933' ' ' VAL . 0.4 OUTLIER -38.87 -40.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.561 HD12 ' O ' ' A' ' 933' ' ' VAL . 5.7 mt -84.44 -67.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.62 -42.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.505 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.4 mtp -45.22 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.562 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.0 m -41.54 -32.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 941' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 0.6 OUTLIER -61.0 -53.0 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.815 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.15 28.82 6.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -93.64 -51.22 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -42.98 -52.97 10.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.815 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.5 125.79 0.51 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.437 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.05 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.05 -15.92 20.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 -18.09 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.423 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -110.23 -5.92 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.693 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 9.2 t80 -92.2 -41.11 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.85 -48.67 50.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.99 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.02 -53.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' A' 1002 ' ' MET . 29.4 t -68.69 -52.79 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -40.69 -33.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.79 -57.18 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.473 ' O ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.56 -38.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -62.68 -39.39 97.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -37.86 87.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.57 -56.92 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.881 ' O ' HD12 ' A' ' 966' ' ' LEU . 4.2 mm? -50.42 -48.18 56.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -47.06 -51.55 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 965' ' ' LEU . 4.2 m -64.49 -52.26 58.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.0 OUTLIER -39.15 -39.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 962' ' ' LEU . 1.4 mp -63.49 -62.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -49.53 -58.54 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 968' ' ' THR . 72.7 p -51.39 -41.48 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 965' ' ' LEU . 3.1 t -61.36 -42.98 95.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.1 t0 -48.89 -38.06 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 975' ' ' VAL . 27.7 mt-10 -75.72 -25.01 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.489 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 1.5 t -85.0 -27.01 26.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.1 OUTLIER -42.49 -52.93 9.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -35.54 3.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.792 HG12 HD22 ' A' ' 976' ' ' LEU . 40.2 t -47.22 -33.04 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.792 HD22 HG12 ' A' ' 975' ' ' VAL . 0.9 OUTLIER -106.92 148.32 36.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.657 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.03 158.76 41.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.11 176.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.5 OUTLIER 87.61 -17.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.872 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 2.6 t -116.25 -12.98 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 982' ' ' ARG . 14.8 m170 -67.83 -56.65 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 13.3 mtm-85 -37.39 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.476 ' HB3' HG21 ' A' 1038 ' ' VAL . 1.4 tt0 -50.72 -41.83 56.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.835 HD11 ' CG1' ' A' 1039 ' ' ILE . 4.8 mt -53.64 -45.78 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -47.96 73.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.6 mtm -73.58 -29.28 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.87 -24.54 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.51 -44.72 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.11 -37.98 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -59.37 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.606 HD12 HD22 ' A' 1028 ' ' LEU . 28.7 tp -53.7 -43.94 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 995' ' ' LEU . 13.4 m-80 -63.13 -43.03 99.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.662 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.3 m-20 -53.96 -31.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -59.13 -57.75 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.86 -53.91 49.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.32 -31.73 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 5.5 tt -71.21 -50.87 28.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.503 HD13 ' CG1' ' A' ' 955' ' ' VAL . 26.5 mm -48.85 -48.78 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -62.67 -53.67 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.645 ' HA ' HD12 ' A' 1004 ' ' LEU . 6.5 mmmt -41.16 -42.61 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.654 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.7 OUTLIER -65.62 -47.46 75.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -56.11 -26.64 50.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' 1001 ' ' LYS . 7.1 mt -83.95 -55.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1005 ' ' ALA . . . . . 1.041 ' O ' HG23 ' A' 1009 ' ' VAL . . . -44.71 -45.14 9.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.404 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.8 OUTLIER -41.95 -43.96 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1007 ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' 1009 ' ' VAL . 4.9 tt0 -74.48 -75.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.705 ' CZ ' ' CE1' ' A' 1017 ' ' TYR . 49.6 m-85 -28.86 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1009 ' ' VAL . . . . . 1.041 HG23 ' O ' ' A' 1005 ' ' ALA . 53.7 t -36.36 -52.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -29.43 -71.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.739 HG23 ' H ' ' A' 1013 ' ' LEU . 15.3 t -71.12 -145.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.602 ' N ' HG23 ' A' 1011 ' ' THR . 60.7 p -112.6 -24.46 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.739 ' H ' HG23 ' A' 1011 ' ' THR . 1.0 OUTLIER -38.86 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.885 ' NE2' HG22 ' A' 1009 ' ' VAL . 20.9 tt0 -38.25 -55.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' 1012 ' ' SER . 0.6 OUTLIER -38.64 -42.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.424 ' CB ' HD23 ' A' 1013 ' ' LEU . 6.1 tt0 -61.3 -54.11 48.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.705 ' CE1' ' CZ ' ' A' 1008 ' ' TYR . 1.7 m-85 -59.08 -35.85 74.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.4 ' HE3' ' CD ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -50.57 -48.41 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -52.51 -52.85 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.464 ' SD ' ' CE ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -47.04 -52.49 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.76 -48.48 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.62 89.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.53 -33.93 10.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.56 -53.71 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.31 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.662 HD21 ' CB ' ' A' ' 994' ' ' ASP . 9.5 mt -58.2 -66.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -38.67 -39.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 45.8 t -74.4 -52.2 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.458 ' OD2' HD23 ' A' 1028 ' ' LEU . 96.1 m-20 -42.18 -59.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -57.08 -33.63 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.7 OUTLIER -66.49 -50.03 64.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -57.5 -19.66 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.475 ' O ' HG12 ' A' 1038 ' ' VAL . 1.5 tt -69.16 -58.29 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.13 -37.28 69.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.9 t70 -43.13 -63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.782 HG22 ' OG1' ' A' ' 980' ' ' THR . 7.4 p -53.81 -42.95 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.835 ' CG1' HD11 ' A' ' 984' ' ' ILE . 12.8 mt -55.22 -44.7 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -39.61 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.702 ' HA ' HD21 ' A' 1044 ' ' LEU . 9.6 tt0 -69.23 -21.82 63.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.872 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -84.98 -56.51 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.417 ' O ' HD12 ' A' 1047 ' ' ILE . 1.6 ttt180 -37.93 -43.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' 1045 ' ' LYS . 4.3 pp -67.04 -49.48 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.797 ' N ' HD12 ' A' 1044 ' ' LEU . 26.2 mttm -40.24 -29.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' 1044 ' ' LEU . 2.9 tmm? -87.03 -54.4 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' 1043 ' ' ARG . 2.5 mt -44.03 -57.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 6.7 t -80.28 59.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -157.29 -65.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.43 104.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.14 96.29 34.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.56 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.538 0.209 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.77 141.81 34.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.25 91.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.96 108.25 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -171.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.56 37.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 25.9 p -86.52 -47.28 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -69.56 -26.54 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.77 -49.0 12.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.25 -55.23 5.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 968' ' ' THR . 73.1 t -61.82 -70.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.828 ' CD1' HD21 ' A' 1036 ' ' LEU . 5.2 m-30 -38.01 -36.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 928' ' ' ASN . 31.0 mm-40 -65.26 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.517 ' HB3' HD13 ' A' ' 965' ' ' LEU . 3.2 t-20 -39.47 -42.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' 1036 ' ' LEU . 76.3 t -55.4 -64.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 934' ' ' LYS . 80.6 p -55.65 -47.95 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.56 -45.58 46.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.1 OUTLIER -74.18 -53.3 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 932' ' ' LEU . 0.5 OUTLIER -55.15 -31.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.0 OUTLIER -61.37 -47.87 83.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.54 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.627 HG23 HD12 ' A' ' 932' ' ' LEU . 2.9 t -40.33 -45.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.4 mt -83.86 -65.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -36.07 -46.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 943' ' ' ILE . 75.7 mtp -45.14 -63.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.494 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 51.2 m -42.9 -41.34 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 5.0 t -58.44 -65.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.926 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -88.09 31.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.1 OUTLIER -95.22 -59.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.577 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -43.55 -49.21 18.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.1 Cg_endo -75.01 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.926 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.41 126.58 0.88 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.445 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.07 177.04 9.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.05 -14.52 21.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.03 -16.68 27.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.454 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -112.83 -10.07 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 3.6 t80 -91.85 -40.01 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -49.41 -47.72 76.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.97 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 953' ' ' PRO . 10.2 ttm -34.49 -51.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' 1002 ' ' MET . 13.5 t -71.16 -52.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -41.33 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -56.0 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.665 HG12 ' CD1' ' A' ' 962' ' ' LEU . 74.9 t -40.47 -58.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -43.87 -49.0 7.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -54.88 29.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.09 -58.94 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 932' ' ' LEU . 1.2 mp -53.09 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -48.05 -55.95 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 3.3 m -58.98 -40.48 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 1.033 ' O ' HG23 ' A' ' 969' ' ' VAL . 59.1 tp -55.05 -53.54 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 962' ' ' LEU . 11.0 mp -42.46 -55.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.13 -48.73 80.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.888 HG22 HG22 ' A' ' 925' ' ' VAL . 20.4 m -54.58 -42.65 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 1.033 HG23 ' O ' ' A' ' 965' ' ' LEU . 9.3 t -56.62 -46.48 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.71 -39.1 23.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 22.6 mt-10 -76.81 -23.82 52.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.554 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.88 -26.16 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.522 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.03 -50.82 13.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -35.36 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 4.4 t -46.86 -32.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.772 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -109.68 146.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.828 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.3 Cg_endo -74.99 161.92 38.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.24 175.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.2 t 87.59 -17.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.913 HG23 HD12 ' A' ' 984' ' ' ILE . 5.7 t -116.25 -17.21 10.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 978' ' ' ALA . 15.8 m170 -62.49 -56.5 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 981' ' ' HIS . 10.7 ttm180 -38.24 -74.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.448 ' HB2' HG11 ' A' 1038 ' ' VAL . 25.7 mt-10 -50.62 -40.35 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.913 HD12 HG23 ' A' ' 980' ' ' THR . 7.2 mt -55.1 -52.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -42.7 61.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.1 mtt -71.19 -28.84 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.52 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.87 -49.84 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -60.59 -34.0 73.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -47.72 74.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.7 HD21 HD23 ' A' ' 962' ' ' LEU . 41.7 tp -57.55 -60.39 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -47.12 -53.46 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -68.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -38.13 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.703 ' CG ' HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.78 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.27 -46.28 24.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.8 -28.89 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 995' ' ' LEU . 2.5 tt -79.54 -48.91 13.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.509 HD13 HG12 ' A' ' 955' ' ' VAL . 4.8 mm -57.46 -55.12 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -52.37 -49.56 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -51.76 -43.01 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.857 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -68.13 -40.48 82.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -55.12 -27.79 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.5 mt -95.96 -33.79 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' 1002 ' ' MET . . . -68.36 -8.29 38.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 21.0 tm0? -79.37 -35.11 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1007 ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' 1009 ' ' VAL . 31.3 tt0 -98.13 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1008 ' ' TYR . . . . . 1.008 ' O ' HG22 ' A' 1011 ' ' THR . 12.6 m-85 -37.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' 1007 ' ' GLN . 2.9 p -41.15 -40.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.53 ' CE ' ' O ' ' A' 1010 ' ' MET . 0.0 OUTLIER -72.74 52.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1011 ' ' THR . . . . . 1.008 HG22 ' O ' ' A' 1008 ' ' TYR . 6.0 t -175.37 173.91 2.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' 1015 ' ' GLN . 8.8 m -66.34 -31.8 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.679 ' H ' HG23 ' A' 1011 ' ' THR . 1.5 mt -51.0 -29.16 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' 1013 ' ' LEU . 3.6 tt0 -38.11 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' 1012 ' ' SER . 4.1 pt20 -47.58 -38.8 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.16 -50.59 71.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.544 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 2.5 m-85 -59.34 -34.86 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 943' ' ' ILE . 8.9 mptt -54.56 -47.33 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -57.07 -44.65 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -51.62 -47.66 63.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.1 tmm? -51.21 -44.8 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -38.66 82.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.8 m -49.03 -49.34 41.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.49 13.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.436 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -47.8 -26.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 69.6 t60 -73.97 -58.28 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1027 ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' 1031 ' ' ASP . . . -63.64 -35.14 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' 1028 ' ' LEU . 7.0 mt -49.04 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' 1033 ' ' LYS . . . -50.4 -35.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' 1033 ' ' LYS . 4.8 t -70.42 -72.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' 1027 ' ' ALA . 0.9 OUTLIER -45.82 -40.28 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.6 84.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' 1029 ' ' ALA . 15.9 mmtt -72.02 -51.55 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.816 ' O ' HG23 ' A' 1038 ' ' VAL . 14.3 t-20 -49.95 -31.53 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.87 -67.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.18 -42.31 99.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -42.01 -44.68 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.822 HG12 ' OG1' ' A' ' 980' ' ' THR . 90.3 t -65.03 -43.44 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.772 HG23 ' HG ' ' A' ' 976' ' ' LEU . 7.8 mt -54.5 -47.21 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.76 -40.74 60.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.821 ' HA ' HD21 ' A' 1044 ' ' LEU . 10.4 mt-30 -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.828 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -76.14 -58.15 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -35.6 -58.71 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.821 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.7 pp -51.79 -49.03 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.489 ' N ' HD12 ' A' 1044 ' ' LEU . 0.1 OUTLIER -46.92 -27.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.3 ttp -85.45 -49.0 8.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mp -60.08 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 93.9 p -78.63 66.91 4.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -169.18 -69.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 9.3 t -159.33 102.14 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1051 ' ' ARG . . . . . 0.494 ' N ' ' CD ' ' A' 1052 ' ' PRO . 0.1 OUTLIER -67.83 -51.54 28.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' 1051 ' ' ARG . 18.2 Cg_endo -74.99 143.87 29.62 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.539 0.209 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 916' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 918' ' ' LEU . . . -103.99 99.51 9.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.43 82.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 918' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 916' ' ' ALA . 0.2 OUTLIER -125.13 69.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.16 -164.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.12 13.7 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 925' ' ' VAL . 22.4 m -86.55 -67.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.498 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.8 p30 -57.71 -17.92 18.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -66.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -45.79 -50.52 13.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.993 HG21 ' HG ' ' A' ' 972' ' ' SER . 46.7 t -54.92 -62.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.978 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -53.4 -35.11 60.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 930' ' ' THR . 11.0 mm-40 -70.91 -50.33 36.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.34 -49.29 77.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 925' ' ' VAL . 74.3 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.8 p -54.89 -54.99 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.86 -32.19 55.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -68.8 -59.49 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.433 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 35.0 m -62.28 -40.54 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.1 OUTLIER -48.54 -39.2 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.42 -45.05 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.449 HG23 HD12 ' A' ' 932' ' ' LEU . 5.3 t -37.38 -42.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 45.8 mt -83.91 -67.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -31.98 -45.69 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 3.3 mtp -48.49 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 8.2 p -37.38 -34.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.0 t -63.78 -52.67 59.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.925 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -102.54 25.89 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.539 HG12 ' CE ' ' A' ' 954' ' ' MET . 0.1 OUTLIER -92.95 -51.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.4 OUTLIER -48.18 -50.99 52.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.04 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.925 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.56 124.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.459 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 177.12 9.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.01 -16.78 19.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.03 -14.21 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.447 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -114.98 -6.6 12.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.631 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 8.9 t80 -90.83 -43.08 10.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.75 HG23 ' CD ' ' A' 1006 ' ' GLN . 0.9 OUTLIER -47.2 -48.22 55.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.06 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.539 ' CE ' HG12 ' A' ' 943' ' ' ILE . 10.8 ttm -38.38 -66.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.547 ' CG1' HD13 ' A' ' 999' ' ' ILE . 7.8 t -56.19 -51.12 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 15.0 mmmt -42.85 -41.35 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 995' ' ' LEU . 73.6 t -44.24 -39.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -43.49 99.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -43.28 95.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.95 95.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.814 HD13 ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.57 -40.09 96.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 963' ' ' ARG . . . . . 0.416 ' N ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -52.46 -54.56 30.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 968' ' ' THR . 8.3 m -57.61 -49.44 76.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.809 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.0 OUTLIER -39.12 -48.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -48.49 -57.74 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.491 ' CG2' HG22 ' A' ' 964' ' ' THR . 59.7 p -51.41 -45.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 965' ' ' LEU . 22.7 t -55.43 -40.75 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 7.0 t0 -54.32 -38.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.4 mt-10 -71.57 -25.19 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.993 ' HG ' HG21 ' A' ' 925' ' ' VAL . 0.3 OUTLIER -84.51 -30.47 25.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.1 OUTLIER -37.32 -53.03 2.29 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.0 -37.43 2.03 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 971' ' ' GLU . 54.1 t -47.82 -32.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 972' ' ' SER . 0.5 OUTLIER -107.59 158.48 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 979' ' ' SER . 18.3 Cg_endo -74.99 145.25 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -42.17 -28.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 977' ' ' PRO . 28.1 t -37.62 -34.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.73 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 3.6 t -116.57 54.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.1 OUTLIER -81.86 -83.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 985' ' ' GLU . 15.0 tpp180 -44.59 -62.16 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.569 ' HB3' HG21 ' A' 1038 ' ' VAL . 44.6 mt-10 -36.31 -53.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.877 HD11 HG12 ' A' 1039 ' ' ILE . 1.5 mt -58.01 -48.78 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 982' ' ' ARG . 1.0 OUTLIER -60.64 -36.97 79.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.3 mtp -77.01 -27.85 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.42 70.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.501 ' CD ' HG11 ' A' ' 969' ' ' VAL . 34.2 mt-30 -71.28 -51.7 23.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -25.02 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -55.37 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.13 -58.6 6.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -49.46 -52.14 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.35 -68.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.678 ' CB ' HD21 ' A' 1028 ' ' LEU . 4.1 m-20 -50.42 -42.39 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.814 ' HG ' HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -40.12 -48.25 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.22 -44.58 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.99 -39.11 88.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.547 HD13 ' CG1' ' A' ' 955' ' ' VAL . 2.8 mm -62.93 -62.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.58 -34.28 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -56.83 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.53 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -55.66 -17.93 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.3 mtpt -75.31 -38.86 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.94 -43.49 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.631 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -54.0 -31.31 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.75 ' CD ' HG23 ' A' ' 952' ' ' VAL . 5.0 mm100 -60.44 -34.27 73.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.88 -30.04 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.604 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 21.0 m-85 -88.44 32.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' 1011 ' ' THR . 2.5 p -117.76 -40.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -65.14 65.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER 171.44 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.5 p 155.75 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.469 ' H ' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -39.93 -30.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' 1012 ' ' SER . 47.9 tp60 -38.27 -57.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -39.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 1013 ' ' LEU . 26.7 tt0 -69.63 -67.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.604 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 18.5 m-85 -55.19 -17.79 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.48 ' NZ ' HG21 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -65.96 -58.85 4.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1019 ' ' LYS . . . . . 0.406 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 0.0 OUTLIER -50.38 -39.65 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.458 ' HE1' HD21 ' A' ' 998' ' ' LEU . 10.2 mmm -51.42 -41.03 60.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' 1025 ' ' ALA . 0.2 OUTLIER -63.98 -34.57 78.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -52.81 -51.74 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.18 62.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' 1022 ' ' LEU . . . -59.21 -32.49 69.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -53.42 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.89 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.678 HD21 ' CB ' ' A' ' 994' ' ' ASP . 9.0 mt -56.15 -66.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.07 -42.1 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.8 t -70.82 -51.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' 1028 ' ' LEU . 1.7 m-20 -43.64 -61.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -53.52 -31.92 48.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.7 tptt -69.37 -54.35 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -51.83 -31.03 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' 1038 ' ' VAL . 10.3 tt -58.65 -61.08 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.978 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.13 -40.84 82.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -44.1 -59.91 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' 1035 ' ' LEU . 0.5 OUTLIER -54.26 -35.74 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.877 HG12 HD11 ' A' ' 984' ' ' ILE . 5.3 mt -67.15 -46.34 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -43.51 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.64 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.0 OUTLIER -67.81 -21.85 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.73 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -87.63 -58.15 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' 1047 ' ' ILE . 17.1 ttp180 -38.79 -37.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' 1045 ' ' LYS . 4.6 pp -74.74 -47.95 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.832 ' N ' HD12 ' A' 1044 ' ' LEU . 0.3 OUTLIER -38.95 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' 1044 ' ' LEU . 1.0 OUTLIER -79.44 -54.49 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' 1043 ' ' ARG . 2.4 mp -59.61 -72.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 2.9 m -71.14 82.96 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.07 -60.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.3 t -115.69 -61.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 146.36 16.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -58.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.534 0.207 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.78 -174.04 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -52.92 137.62 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 61.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.46 -177.24 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -88.84 35.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.0 p -87.15 -49.51 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.56 -26.11 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.2 OUTLIER -80.17 -48.32 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -61.19 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.62 HG21 ' HB2' ' A' ' 972' ' ' SER . 60.8 t -50.87 -66.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 1.145 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.6 m-30 -47.27 -32.78 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 923' ' ' ASP . 4.2 tm-20 -72.09 -64.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -49.04 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.563 HG22 HD12 ' A' ' 965' ' ' LEU . 80.4 t -50.2 -56.18 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 931' ' ' GLY . 6.1 p -66.28 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.71 -53.33 0.64 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -63.38 -51.26 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.818 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.6 t -55.53 -61.98 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 933' ' ' VAL . 10.1 mtpt -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 932' ' ' LEU . . . -68.46 -51.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 932' ' ' LEU . 84.1 t -39.23 -39.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' 1029 ' ' ALA . 1.8 mm -84.55 -66.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -35.98 -45.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 943' ' ' ILE . 5.7 ttp -50.97 -59.58 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.556 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.6 p -45.48 -36.43 4.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -33.07 75.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.838 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -118.66 24.63 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 1.038 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -94.71 -48.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.2 tt0 -47.02 -52.52 33.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.5 Cg_endo -75.0 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.37 129.23 0.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 176.7 9.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.529 ' HB3' HG11 ' A' 1009 ' ' VAL . 18.3 Cg_endo -75.02 -17.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.98 -14.38 39.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -113.82 -10.79 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 1.038 ' CE1' HD11 ' A' ' 943' ' ' ILE . 11.9 t80 -91.06 -34.18 15.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.577 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.65 -47.84 83.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -29.59 -61.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' 1002 ' ' MET . 2.2 t -63.16 -53.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -48.98 79.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.767 HG12 HD21 ' A' ' 995' ' ' LEU . 37.2 t -50.27 -46.18 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.9 88.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -40.26 87.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 961' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 958' ' ' VAL . . . -53.07 -43.52 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 995' ' ' LEU . 72.2 mt -54.93 -57.11 12.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -47.02 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 968' ' ' THR . 30.3 m -73.24 -50.01 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.834 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.1 OUTLIER -47.22 -39.9 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -60.31 -62.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.28 -57.03 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 964' ' ' THR . 72.2 p -47.23 -47.16 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 965' ' ' LEU . 41.5 t -57.29 -40.42 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.419 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t0 -50.02 -37.96 35.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.9 mt-10 -75.76 -23.63 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.62 ' HB2' HG21 ' A' ' 925' ' ' VAL . 3.0 t -85.18 -28.0 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.32 -52.24 10.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.2 t -47.14 -30.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.78 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.2 mm? -110.65 158.09 36.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -72.93 57.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 4.5 t -123.1 -30.64 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.711 HG23 HD12 ' A' ' 984' ' ' ILE . 0.1 OUTLIER -116.38 16.34 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 982' ' ' ARG . 0.2 OUTLIER -48.66 -96.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 2.8 ptt180 -37.13 -45.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.17 -53.91 30.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.952 HD11 ' CG1' ' A' 1039 ' ' ILE . 1.3 mt -59.7 -36.57 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.48 -42.21 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -26.84 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -75.16 -21.51 58.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.535 ' HG2' HD11 ' A' 1035 ' ' LEU . 1.2 mt-30 -77.3 -47.92 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -66.07 -33.22 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.76 -65.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.734 HD11 HD12 ' A' ' 995' ' ' LEU . 1.4 tp -45.26 -47.85 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.677 ' OD1' HD13 ' A' ' 962' ' ' LEU . 1.4 t30 -56.8 -57.82 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.75 -63.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.734 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.8 m-20 -51.42 -56.73 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 1.022 HD13 HD11 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -46.73 -54.02 10.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.06 -36.54 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.88 -31.01 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.568 HD13 HD12 ' A' 1028 ' ' LEU . 1.8 tt -75.2 -40.03 59.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.614 HD13 HG13 ' A' ' 955' ' ' VAL . 47.0 mm -54.21 -45.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' LYS . 49.3 t30 -62.04 -55.71 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.69 -46.3 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.657 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -64.42 -36.63 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1000 ' ' ASN . 1.0 OUTLIER -64.8 -21.76 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.72 -46.37 10.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.351 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.755 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -59.58 -15.21 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -32.0 66.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1007 ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' 1010 ' ' MET . 0.3 OUTLIER -107.49 -23.14 12.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.422 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.4 m-85 -86.0 4.0 39.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 948' ' ' PRO . 1.7 p -79.99 -40.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -51.36 -19.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' 1012 ' ' SER . 1.4 t -114.99 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.539 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -89.52 17.66 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.534 ' HB2' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -80.9 -33.39 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -36.52 -66.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -34.12 -38.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.6 OUTLIER -67.94 -67.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.422 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -55.02 -19.7 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' 1021 ' ' MET . 6.2 mptt -66.74 -48.82 67.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -63.53 -25.7 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -68.4 -58.97 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.5 ptm -52.3 -24.33 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -71.24 -45.62 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.3 m -49.56 -44.75 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1024 ' ' ALA . . . . . 0.528 ' HB3' HD12 ' A' ' 998' ' ' LEU . . . -75.8 -47.18 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.551 ' HB1' HG12 ' A' ' 936' ' ' VAL . . . -55.15 -29.94 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.88 -56.03 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.35 80.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 994' ' ' ASP . 10.1 mt -54.56 -65.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.895 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.95 -45.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.4 t -68.98 -53.07 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -41.14 -62.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.561 ' HB3' HG21 ' A' ' 933' ' ' VAL . . . -50.02 -36.25 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.4 tptt -63.1 -46.21 88.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.92 -39.97 72.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.717 ' O ' HG12 ' A' 1038 ' ' VAL . 8.5 tt -49.17 -57.8 6.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1036 ' ' LEU . . . . . 1.145 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -73.17 -39.23 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 47.7 t0 -45.64 -51.53 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' 1035 ' ' LEU . 12.3 p -63.27 -34.71 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.952 ' CG1' HD11 ' A' ' 984' ' ' ILE . 11.4 mt -63.16 -50.12 80.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -45.81 47.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.696 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.2 OUTLIER -65.62 -21.56 66.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.58 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -83.51 -56.72 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.436 ' HG3' ' CE ' ' A' 1046 ' ' MET . 10.3 ttp180 -43.26 -42.68 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.696 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.6 pp -72.2 -36.55 69.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' 1044 ' ' LEU . 8.3 tmtt? -53.02 -20.79 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.436 ' CE ' ' HG3' ' A' 1043 ' ' ARG . 0.0 OUTLIER -89.03 -39.68 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' 1046 ' ' MET . 3.2 mt -67.15 -57.16 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -66.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.82 95.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.91 117.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1051 ' ' ARG . . . . . 0.406 ' NH1' HG23 ' A' 1047 ' ' ILE . 5.9 tpp180 -111.09 100.74 48.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 7.6 t-160 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.648 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.69 132.05 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -87.75 80.94 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 2.6 mp -124.91 109.49 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.82 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.5 -50.29 7.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.597 ' OD1' HG11 ' A' ' 975' ' ' VAL . 2.7 m-20 -77.2 -1.44 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -48.45 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.87 -49.88 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 929' ' ' VAL . 81.7 t -53.64 -49.12 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.976 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.8 m-30 -64.26 -37.36 87.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 928' ' ' ASN . 3.5 mm-40 -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.485 ' OD1' HG21 ' A' ' 968' ' ' THR . 15.3 m120 -40.38 -51.54 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.75 ' CG2' HD11 ' A' ' 965' ' ' LEU . 60.8 t -47.59 -62.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.4 p -61.21 -60.92 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -38.35 -50.96 2.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.17 -50.39 48.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' A' 1032 ' ' ALA . 2.1 t -52.21 -32.68 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.6 -50.5 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -64.18 -42.74 96.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.556 HG23 HD12 ' A' ' 932' ' ' LEU . 2.7 t -38.96 -49.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' 1029 ' ' ALA . 5.0 mt -84.92 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.69 -42.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 13.6 ttm -46.44 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.504 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.3 m -38.16 -35.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -51.08 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.873 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.63 26.91 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.821 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.93 -51.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.0 tt0 -45.85 -51.86 28.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.99 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.873 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.89 131.39 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.446 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.0 -16.82 20.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.4 -18.86 29.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.2 tp10 -106.19 -4.76 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.821 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -91.95 -43.6 9.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.853 HG23 ' OE1' ' A' 1006 ' ' GLN . 0.9 OUTLIER -54.55 -47.17 98.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -74.95 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.465 ' HE1' HG12 ' A' ' 943' ' ' ILE . 1.6 tmm? -32.58 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.878 HG11 ' HG2' ' A' 1002 ' ' MET . 75.9 t -67.68 -54.62 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -46.75 -36.69 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -53.09 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.445 ' CG1' ' CD1' ' A' ' 962' ' ' LEU . 2.2 t -43.5 -57.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.6 -44.85 8.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.45 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 995' ' ' LEU . 1.1 mt -56.94 -47.38 80.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 963' ' ' ARG . . . . . 0.452 ' HA ' HD13 ' A' ' 966' ' ' LEU . 0.1 OUTLIER -47.24 -53.81 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 968' ' ' THR . 1.2 m -58.5 -27.44 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.75 HD11 ' CG2' ' A' ' 929' ' ' VAL . 10.0 tp -59.64 -44.25 93.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 966' ' ' LEU . 6.0 mp -58.99 -49.56 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.35 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 964' ' ' THR . 38.0 p -45.71 -47.52 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 965' ' ' LEU . 39.7 t -57.14 -41.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.411 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 10.5 t0 -49.25 -35.24 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 975' ' ' VAL . 11.8 mt-10 -79.88 -24.06 41.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.571 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.6 OUTLIER -86.13 -28.54 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.518 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.17 -50.8 14.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.04 -35.69 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.597 HG11 ' OD1' ' A' ' 922' ' ' ASN . 17.5 t -47.43 -33.22 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.808 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -109.46 159.61 30.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 981' ' ' HIS . 18.3 Cg_endo -75.0 175.14 11.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -81.14 49.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -20.78 8.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.998 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.884 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 1.8 t -116.77 -9.58 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 977' ' ' PRO . 13.8 m170 -48.31 -59.45 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -44.31 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.605 ' HB2' HG11 ' A' 1038 ' ' VAL . 7.7 mt-10 -49.32 -47.63 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.753 HD12 HG23 ' A' ' 980' ' ' THR . 12.8 mt -51.1 -49.54 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -50.06 57.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.9 mtm -72.51 -28.19 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.52 -37.75 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.56 -44.73 81.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.28 68.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -56.75 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.792 HD11 HD21 ' A' ' 962' ' ' LEU . 10.3 tp -56.03 -59.32 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.51 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.3 t-20 -45.31 -45.78 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.689 ' CB ' HD21 ' A' 1028 ' ' LEU . 0.8 OUTLIER -49.48 -32.57 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.67 -60.74 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.5 -54.57 35.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -52.96 -23.7 7.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.573 HD13 HD11 ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.24 -48.2 71.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 995' ' ' LEU . 4.2 mp -62.73 -59.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.2 -43.63 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -63.04 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.878 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -51.67 -26.42 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.6 mtpt -59.51 -43.87 93.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' 1008 ' ' TYR . 12.1 mt -78.54 -29.56 46.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -55.31 -27.0 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.853 ' OE1' HG23 ' A' ' 952' ' ' VAL . 0.5 OUTLIER -93.3 -18.77 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -100.23 -1.21 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.633 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 5.4 m-85 -110.75 -16.02 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' 1010 ' ' MET . 2.2 p -67.55 -26.95 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -33.43 -45.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' 1012 ' ' SER . 9.7 t -97.84 -56.91 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.4 t 152.33 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' 1016 ' ' GLU . 1.0 OUTLIER -83.61 -19.73 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' 1018 ' ' LYS . 2.8 tt0 -36.84 -67.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' 1014 ' ' GLN . 1.9 pp0? -33.85 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' 1013 ' ' LEU . 16.7 tt0 -73.14 -68.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.633 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 7.8 m-85 -59.62 -13.82 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.08 -56.81 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1019 ' ' LYS . . . . . 0.439 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 3.4 mmpt? -57.01 -33.67 67.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -63.88 -55.35 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 2.0 mmm -43.61 -38.68 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' 1022 ' ' LEU . 3.0 tm? -64.07 -47.88 78.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -41.54 -48.43 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.0 61.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.87 -35.14 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -63.9 -55.99 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.639 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.38 84.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.689 HD21 ' CB ' ' A' ' 994' ' ' ASP . 11.2 mt -58.16 -65.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.57 -40.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.9 t -74.18 -54.48 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -42.02 -56.34 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.528 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -56.9 -37.01 70.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -67.14 -59.79 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.827 ' O ' HG23 ' A' 1038 ' ' VAL . 12.8 t-20 -43.27 -32.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.4 -69.1 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.976 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -43.9 -46.38 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' 1034 ' ' ASN . 85.3 t -66.56 -34.76 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.808 HG23 ' HG ' ' A' ' 976' ' ' LEU . 9.0 mt -65.55 -51.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 6.3 t0 -46.68 -46.6 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.503 ' O ' ' CD1' ' A' 1044 ' ' LEU . 28.2 tt0 -68.7 -25.94 65.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.884 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -81.82 -29.04 32.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' 1039 ' ' ILE . 0.8 OUTLIER -57.37 -64.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.799 HD22 ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -60.31 -26.02 66.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.727 ' N ' HD22 ' A' 1044 ' ' LEU . 1.8 tttp -52.54 -26.85 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -21.98 30.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 6.9 mm -59.05 -59.72 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.96 76.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.95 38.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.02 -46.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -65.2 112.3 7.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.63 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 17.0 t60 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 915' ' ' MET . . . . . 0.759 ' N ' HD11 ' A' ' 918' ' ' LEU . 3.0 ptm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.509 0.195 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -100.19 -83.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.65 100.74 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 918' ' ' LEU . . . . . 0.759 HD11 ' N ' ' A' ' 915' ' ' MET . 1.4 mp -122.91 41.08 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 919' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 923' ' ' ASP . 4.7 p30 -104.06 43.47 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 -81.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 23.1 m -82.3 -53.03 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 43.8 p-10 -55.23 -18.42 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 919' ' ' ASP . 0.9 OUTLIER -74.78 -26.86 60.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -76.28 -41.46 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.926 HG23 HG22 ' A' ' 968' ' ' THR . 2.8 t -74.75 -36.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.856 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.5 m-30 -70.89 -23.2 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 961' ' ' ALA . 0.1 OUTLIER -46.05 -38.08 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.741 ' O ' HD13 ' A' ' 932' ' ' LEU . 1.9 t -58.65 -63.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 929' ' ' VAL . 41.6 p -58.69 -30.19 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.65 -81.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.89 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -50.5 -39.92 49.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.89 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.5 t -56.13 -54.57 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -55.22 -39.8 70.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -67.91 -50.59 55.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 932' ' ' LEU . 56.3 t -34.89 -44.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' 1029 ' ' ALA . 2.6 mp -83.97 -66.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -40.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.0 OUTLIER -51.86 -69.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.529 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 93.3 p -41.11 -33.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -46.47 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.9 23.51 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.921 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -92.96 -50.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -39.0 -53.08 3.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.06 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -36.23 125.49 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.48 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.02 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.03 -18.89 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.27 -14.04 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.494 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -113.43 -5.11 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.921 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.9 t80 -92.65 -36.61 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -51.87 -46.13 92.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.98 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.87 -55.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.666 HG13 HD13 ' A' ' 999' ' ' ILE . 2.1 t -63.24 -49.55 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.95 -38.27 35.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.33 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.42 HG12 HD11 ' A' ' 995' ' ' LEU . 54.2 t -64.32 -49.26 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -59.26 -21.7 54.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.52 -43.97 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 961' ' ' ALA . . . . . 0.564 ' O ' ' ND2' ' A' ' 928' ' ' ASN . . . -67.85 -43.96 78.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -64.03 -33.86 76.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 963' ' ' ARG . . . . . 0.89 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -57.04 -57.62 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 18.9 m -52.27 -46.48 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.7 tm? -46.47 -54.78 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 962' ' ' LEU . 5.6 mp -42.57 -60.22 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.16 83.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.926 HG22 HG23 ' A' ' 925' ' ' VAL . 4.1 m -55.44 -45.48 76.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 965' ' ' LEU . 98.8 t -53.35 -45.32 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -49.35 -41.82 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.729 ' O ' HG23 ' A' ' 975' ' ' VAL . 43.2 tt0 -74.49 -23.15 58.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.597 ' HB2' HG21 ' A' ' 925' ' ' VAL . 12.1 t -86.7 -18.07 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.2 OUTLIER -51.75 -53.16 53.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.55 3.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 971' ' ' GLU . 48.4 t -47.82 -26.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.4 OUTLIER -105.37 160.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.494 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -42.66 116.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.1 p 158.24 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.98 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 2.0 t -101.4 -0.43 35.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -62.12 -42.19 98.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.879 ' HB2' HG21 ' A' 1038 ' ' VAL . 11.6 mt-10 -51.12 -39.39 56.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' 1039 ' ' ILE . 27.3 mt -55.66 -51.64 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.22 -51.2 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -28.47 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.442 ' O ' HD12 ' A' 1035 ' ' LEU . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.19 -55.49 21.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -32.46 55.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 990' ' ' LEU . . . . . 0.496 HD23 ' OD1' ' A' ' 994' ' ' ASP . 0.1 OUTLIER -58.61 -52.92 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 962' ' ' LEU . 13.9 tp -45.63 -60.23 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -54.3 -59.89 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -59.41 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.558 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.0 OUTLIER -57.38 -48.92 77.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 995' ' ' LEU . 0.2 OUTLIER -51.35 -57.11 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.02 -44.35 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -37.57 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 995' ' ' LEU . 1.4 tt -78.31 -45.51 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.666 HD13 HG13 ' A' ' 955' ' ' VAL . 39.9 mm -55.08 -43.47 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 27.5 t30 -66.71 -55.88 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 9.9 mmtm -39.88 -37.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.615 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.1 OUTLIER -75.74 -47.04 27.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' 1000 ' ' ASN . 0.7 OUTLIER -53.42 -23.01 8.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' 1007 ' ' GLN . 17.7 mt -90.72 -48.05 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.694 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -49.25 -25.53 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.428 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.9 OUTLIER -67.46 -36.0 80.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1007 ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.0 OUTLIER -94.99 -28.85 14.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.77 ' CD2' ' CE1' ' A' 1017 ' ' TYR . 30.8 m-85 -92.75 36.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' 1014 ' ' GLN . 2.4 p -125.23 -42.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.86 57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.1 OUTLIER -177.23 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.9 OUTLIER 157.59 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.3 OUTLIER -44.18 -27.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.538 ' HB2' HG23 ' A' 1009 ' ' VAL . 0.5 OUTLIER -35.27 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -36.93 -35.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' 1013 ' ' LEU . 2.8 tt0 -68.43 -60.32 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.77 ' CE1' ' CD2' ' A' 1008 ' ' TYR . 4.4 m-85 -67.95 -13.34 62.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' 1014 ' ' GLN . 4.7 tptt -68.61 -50.37 52.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -40.21 96.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -56.24 -52.97 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -46.23 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -53.32 -54.07 41.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.7 m -38.28 -50.87 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.64 -53.09 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 936' ' ' VAL . . . -47.62 -26.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.16 -57.61 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -71.29 -34.69 70.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.558 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.9 OUTLIER -61.34 -63.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.701 ' CB ' HD11 ' A' ' 937' ' ' ILE . . . -42.43 -41.04 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.0 t -73.15 -51.68 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.58 -55.25 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -55.68 -41.59 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 15.5 mmtt -63.3 -45.34 91.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 18.3 t30 -56.32 -27.83 56.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' 1038 ' ' VAL . 1.0 OUTLIER -63.36 -62.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.856 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -66.6 -37.87 85.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -39.76 -63.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.879 HG21 ' HB2' ' A' ' 983' ' ' GLU . 2.9 p -52.99 -41.49 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.676 HG12 HD11 ' A' ' 984' ' ' ILE . 4.5 mt -59.73 -48.7 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.83 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.2 OUTLIER -63.49 -25.32 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.98 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -77.35 -55.91 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -36.84 -57.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.83 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -52.83 -48.59 66.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.449 ' N ' HD12 ' A' 1044 ' ' LEU . 7.6 tmtm? -39.88 -30.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.494 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 16.8 ttp -91.06 -51.93 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.6 -50.32 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -48.4 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.29 99.02 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 7.4 t -172.07 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -62.81 112.06 6.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 915' ' ' MET . . . . . 0.742 ' HG3' HD12 ' A' ' 918' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.55 0.214 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -44.4 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -40.53 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 918' ' ' LEU . . . . . 0.742 HD12 ' HG3' ' A' ' 915' ' ' MET . 0.6 OUTLIER -112.08 59.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.49 39.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 2.0 t -86.18 -16.41 37.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 5.8 t30 -57.34 -48.19 79.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.46 -39.76 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -55.23 -71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.777 ' CG2' HG22 ' A' ' 968' ' ' THR . 86.5 t -44.34 -53.37 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.913 ' CE1' HD21 ' A' 1036 ' ' LEU . 3.9 m-85 -53.06 -49.95 65.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 928' ' ' ASN . 0.7 OUTLIER -65.67 -63.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' A' ' 968' ' ' THR . 34.2 m120 -38.81 -40.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.524 HG23 ' CD1' ' A' ' 965' ' ' LEU . 2.2 t -58.59 -66.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 926' ' ' TYR . 80.8 p -45.05 -54.9 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.83 -32.7 48.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.85 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -74.61 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 934' ' ' LYS . 30.0 m -57.04 -51.78 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 930' ' ' THR . 2.0 mmpt? -42.93 -44.3 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -73.24 -50.38 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.643 HG23 HD12 ' A' ' 932' ' ' LEU . 9.1 t -35.68 -41.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 938' ' ' GLU . 26.5 mt -84.65 -67.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.49 -47.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.496 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.3 ttp -47.07 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 34.1 m -39.51 -34.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -50.97 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.863 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.65 28.19 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.01 -51.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.27 -51.38 34.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.863 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -36.32 127.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.469 ' HA ' ' OE1' ' A' 1006 ' ' GLN . 18.3 Cg_endo -75.05 -13.98 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.42 -20.2 23.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -107.74 -9.63 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.637 ' CE1' HD11 ' A' ' 943' ' ' ILE . 3.5 t80 -90.67 -41.34 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.708 HG23 ' CD ' ' A' 1006 ' ' GLN . 0.9 OUTLIER -44.7 -49.69 26.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -30.08 -50.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.721 HG21 ' HB2' ' A' 1002 ' ' MET . 14.3 t -68.88 -54.76 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 953' ' ' PRO . 5.3 mmtp -39.85 -31.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 957' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.45 -57.77 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.455 ' O ' HD12 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -49.99 -44.61 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.71 -37.33 68.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -51.1 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -47.67 -56.75 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 991' ' ' LEU . 1.6 mt -52.26 -49.24 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.29 -57.2 12.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.0 m -56.4 -46.76 79.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.524 ' CD1' HG23 ' A' ' 929' ' ' VAL . 0.8 OUTLIER -49.58 -49.57 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -57.88 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 970' ' ' ASP . . . -55.84 -52.86 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.777 HG22 ' CG2' ' A' ' 925' ' ' VAL . 4.6 m -47.26 -47.41 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 972' ' ' SER . 55.3 t -55.84 -38.1 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.427 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 19.4 t0 -48.58 -45.59 38.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.481 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.5 mt-10 -69.01 -22.74 64.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.729 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.6 OUTLIER -85.81 -26.58 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.1 -51.28 7.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -74.95 -36.51 2.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 976' ' ' LEU . 17.1 t -48.03 -33.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.5 OUTLIER -110.21 160.35 28.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.486 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 162.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -39.4 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 977' ' ' PRO . 0.3 OUTLIER -48.01 -22.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.731 HG23 ' HB1' ' A' 1042 ' ' ALA . 18.1 p -98.8 30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.3 OUTLIER -86.88 -99.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.557 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.473 ' HB3' ' CE ' ' A' ' 986' ' ' MET . 0.0 OUTLIER -54.16 -39.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.454 ' HB3' HG11 ' A' 1038 ' ' VAL . 5.5 mt-10 -54.9 -42.78 72.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 1.3 mt -74.14 -36.05 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.13 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 986' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -68.31 -42.27 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.528 ' HB3' HD22 ' A' 1035 ' ' LEU . . . -74.39 -30.85 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -66.42 -54.75 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -53.87 -35.68 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -63.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.707 HD11 HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.33 -49.56 23.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -60.19 -49.93 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.74 -64.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.494 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.6 OUTLIER -56.22 -34.33 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.769 ' C ' HD12 ' A' ' 995' ' ' LEU . 0.1 OUTLIER -54.32 -58.37 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.61 19.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -35.45 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 998' ' ' LEU . 0.6 OUTLIER -67.9 -50.05 58.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.548 HD13 ' CG1' ' A' ' 955' ' ' VAL . 11.1 mm -55.15 -44.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1001 ' ' LYS . 1.1 t-20 -64.49 -52.6 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.0 OUTLIER -39.21 -36.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.721 ' HB2' HG21 ' A' ' 955' ' ' VAL . 7.0 tmm? -74.86 -49.81 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -53.43 -23.27 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.404 ' HB3' ' CE2' ' A' 1008 ' ' TYR . 20.1 mt -90.87 -48.07 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.598 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -61.42 -13.99 24.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.708 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.3 OUTLIER -85.57 -30.3 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -102.31 -4.3 25.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.833 ' O ' HG22 ' A' 1011 ' ' THR . 2.8 m-85 -105.0 -20.88 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' 1009 ' ' VAL . 1.6 p -58.84 -39.32 77.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -29.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.833 HG22 ' O ' ' A' 1008 ' ' TYR . 8.9 t -105.63 -142.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.535 ' N ' HG23 ' A' 1011 ' ' THR . 37.6 m -113.16 -21.9 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.981 HD12 ' CE2' ' A' 1017 ' ' TYR . 0.2 OUTLIER -44.12 -26.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' 1018 ' ' LYS . 0.0 OUTLIER -37.41 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' 1014 ' ' GLN . 2.9 pt20 -37.47 -37.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.77 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.6 OUTLIER -69.53 -61.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.981 ' CE2' HD12 ' A' 1013 ' ' LEU . 14.1 m-85 -60.6 -19.96 59.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.436 ' HE3' ' CD1' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -68.1 -43.34 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -37.91 89.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -55.95 -47.36 77.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -54.37 -47.84 72.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' 1022 ' ' LEU . 2.6 tm? -50.86 -47.04 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.3 m -47.3 -52.01 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.99 99.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.426 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -56.12 -30.13 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 67.5 t60 -72.3 -54.83 8.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.66 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 994' ' ' ASP . 10.6 mt -56.97 -66.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.52 -44.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' 1033 ' ' LYS . 13.6 t -69.86 -55.97 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -41.02 -56.29 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.449 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -59.77 -36.81 77.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.2 OUTLIER -61.67 -66.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.696 ' O ' HG23 ' A' 1038 ' ' VAL . 4.6 m-20 -38.5 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 987' ' ' ALA . 0.6 OUTLIER -59.07 -69.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.913 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -71.53 -44.22 65.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1037 ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' 1033 ' ' LYS . 6.3 t0 -41.73 -41.48 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' 1034 ' ' ASN . 49.0 t -71.97 -40.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.802 HG23 ' HG ' ' A' ' 976' ' ' LEU . 22.2 mt -55.46 -56.81 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.27 -44.71 16.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.57 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.5 mt-30 -75.49 -24.85 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.731 ' HB1' HG23 ' A' ' 980' ' ' THR . . . -75.32 -51.38 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -47.6 -59.83 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.0 pp -54.19 -34.44 60.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.492 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -52.31 -22.55 4.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' 1047 ' ' ILE . 0.2 OUTLIER -92.21 -38.93 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' 1046 ' ' MET . 5.3 mt -64.16 -48.39 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 31.8 m -57.34 -69.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.1 -62.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 13.8 t -43.19 -62.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -60.67 119.97 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.76 2.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.488 0.185 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.0 -171.96 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.99 90.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.16 114.51 19.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 15.3 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 925' ' ' VAL . 3.4 m -83.02 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' A' ' 926' ' ' TYR . 19.1 t-20 -58.0 -17.23 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 925' ' ' VAL . 0.4 OUTLIER -75.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -41.46 -31.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 929' ' ' VAL . 21.1 t -78.16 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 1.167 ' CD1' HD11 ' A' 1036 ' ' LEU . 4.7 m-30 -54.22 -28.49 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.41 -64.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.95 -36.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.693 HG13 ' HB1' ' A' 1032 ' ' ALA . 86.9 t -60.04 -65.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 934' ' ' LYS . 66.6 p -56.58 -63.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.365 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.06 -54.23 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.776 HD22 HD13 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -64.26 -48.89 74.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.4 t -60.09 -33.68 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.3 OUTLIER -57.99 -39.32 77.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.74 -40.94 32.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.456 HG23 HD12 ' A' ' 932' ' ' LEU . 2.7 t -39.19 -45.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.3 mp -84.83 -65.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -34.91 -41.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 942' ' ' LYS . 31.9 ttm -46.72 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 16.7 t -44.28 -31.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -43.33 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.869 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -111.9 27.6 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.0 OUTLIER -94.38 -50.41 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -46.61 -51.87 34.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.0 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.869 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -35.79 126.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.469 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.97 177.57 8.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -75.0 -16.53 20.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -17.31 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.235 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.42 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -110.19 -3.62 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 12.6 t80 -93.73 -42.86 8.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -51.77 -46.51 91.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.97 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.454 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 5.2 ttp -37.04 -43.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.594 HG21 ' CB ' ' A' 1002 ' ' MET . 11.6 t -71.5 -56.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.75 -43.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -58.14 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 961' ' ' ALA . 50.9 t -48.08 -56.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.18 -38.5 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 961' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 958' ' ' VAL . . . -64.82 -43.04 94.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.787 ' CD1' HD11 ' A' ' 991' ' ' LEU . 3.6 mm? -60.04 -46.5 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 963' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 963' ' ' ARG . 0.0 OUTLIER -59.73 -53.41 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 968' ' ' THR . 6.9 m -55.46 -34.92 64.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 1.029 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.0 tt -60.34 -41.54 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.429 HD23 ' OE1' ' A' ' 988' ' ' GLN . 1.4 tt -56.05 -43.96 78.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -58.96 -66.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.534 ' HB ' HG22 ' A' ' 925' ' ' VAL . 76.2 p -40.51 -43.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 965' ' ' LEU . 58.6 t -53.62 -48.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 967' ' ' ALA . 28.1 t70 -48.62 -37.07 17.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.762 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.1 mt-10 -79.12 -24.46 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.485 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.1 OUTLIER -86.28 -17.35 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.554 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.2 OUTLIER -53.79 -53.68 54.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.5 Cg_endo -74.92 -33.76 4.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 971' ' ' GLU . 42.5 t -48.95 -26.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.986 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.3 OUTLIER -107.69 155.47 39.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.7 5.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.61 108.57 10.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.82 -34.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.659 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 5.1 t -111.37 53.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -83.03 -92.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 985' ' ' GLU . 27.0 ttm180 -43.93 -54.7 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.767 ' CB ' HG11 ' A' 1038 ' ' VAL . 24.0 mt-10 -40.15 -48.24 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.999 HD11 ' CG1' ' A' 1039 ' ' ILE . 0.4 OUTLIER -63.78 -44.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -62.58 -38.55 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 5.7 mtp -71.43 -23.69 61.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -79.64 -20.82 45.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 965' ' ' LEU . 1.7 mm-40 -75.88 -46.86 27.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -41.72 83.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.787 HD11 ' CD1' ' A' ' 962' ' ' LEU . 1.5 tt -62.59 -54.01 46.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -61.6 -35.51 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -66.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.571 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.4 OUTLIER -52.6 -34.98 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.5 OUTLIER -54.99 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.18 -53.11 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.55 -35.12 73.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 995' ' ' LEU . 7.5 tt -69.82 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.478 HD12 ' CG1' ' A' ' 955' ' ' VAL . 19.3 mm -60.68 -54.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.1 t30 -52.71 -26.65 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.594 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -50.16 -23.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' 1002 ' ' MET . 3.1 mtpt -70.79 -52.36 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.03 -41.42 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.629 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -44.31 -44.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 32.6 mm-40 -47.2 -33.44 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -37.46 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.593 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 55.3 m-85 -87.22 40.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' 1005 ' ' ALA . 2.6 p -129.1 -44.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.67 ' C ' HG22 ' A' 1011 ' ' THR . 0.0 OUTLIER -63.02 71.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.67 HG22 ' C ' ' A' 1010 ' ' MET . 0.0 OUTLIER 164.77 -56.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.8 OUTLIER 155.63 -23.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -39.89 -29.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' 1012 ' ' SER . 33.5 tt0 -37.49 -58.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -36.83 -40.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.8 OUTLIER -66.88 -68.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.593 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 3.9 m-85 -55.01 -24.4 24.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.441 ' O ' ' NZ ' ' A' 1018 ' ' LYS . 0.2 OUTLIER -59.9 -50.78 72.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1019 ' ' LYS . . . . . 0.426 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -58.48 -36.55 73.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -62.18 -55.32 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -41.17 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' 1022 ' ' LEU . 1.9 tm? -58.32 -44.19 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 25.2 m -47.96 -49.77 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.14 83.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -53.85 -34.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 4.8 t60 -69.28 -55.86 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.18 -34.68 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 994' ' ' ASP . 9.4 mt -56.08 -66.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.18 -40.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.2 t -72.89 -52.0 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -42.21 -58.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.693 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -55.99 -35.46 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.4 OUTLIER -67.1 -60.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.483 ' O ' HG23 ' A' 1038 ' ' VAL . 11.3 t-20 -41.61 -31.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 987' ' ' ALA . 6.1 tt -61.75 -70.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1036 ' ' LEU . . . . . 1.167 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.6 -39.86 81.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.03 -56.01 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.767 HG11 ' CB ' ' A' ' 983' ' ' GLU . 80.2 t -57.38 -37.93 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.999 ' CG1' HD11 ' A' ' 984' ' ' ILE . 4.0 mt -64.06 -42.67 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.65 -38.92 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.62 ' HA ' HD21 ' A' 1044 ' ' LEU . 14.0 mt-30 -74.5 -26.08 59.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.986 ' HB3' HD12 ' A' ' 976' ' ' LEU . . . -81.31 -43.38 19.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.552 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 3.3 ttm180 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.1 pp -62.61 -38.26 89.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.548 ' N ' HD12 ' A' 1044 ' ' LEU . 0.3 OUTLIER -47.93 -24.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.2 OUTLIER -85.98 -29.9 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.7 mm -43.03 -53.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 2.1 m -115.06 79.04 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.92 63.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.95 118.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 134.35 95.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 5.5 p80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.614 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.504 0.192 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.29 60.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -84.92 55.49 3.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.01 111.35 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -55.21 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -61.36 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 24.4 m -55.82 -45.67 78.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -57.11 -36.61 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -37.25 60.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -53.99 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 972' ' ' SER . 91.5 t -49.13 -61.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.984 ' CZ ' HD21 ' A' 1036 ' ' LEU . 5.3 m-85 -52.52 -30.95 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.56 -47.66 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 932' ' ' LEU . 0.9 OUTLIER -59.02 -58.44 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 1.01 ' O ' HG22 ' A' ' 933' ' ' VAL . 3.1 t -42.27 -53.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.5 p -61.08 -55.75 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -55.24 -25.58 40.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.811 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -81.66 -63.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 929' ' ' VAL . 6.1 m -57.68 -31.01 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.3 mmmt -63.07 -46.44 87.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -72.47 -45.25 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.591 HG23 HD12 ' A' ' 932' ' ' LEU . 3.5 t -40.56 -49.95 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 938' ' ' GLU . 66.9 mt -73.86 -62.74 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -34.03 -45.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.9 ttp -44.59 -69.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.879 ' CB ' HD23 ' A' 1022 ' ' LEU . 7.9 p -41.75 -37.27 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.6 t -60.83 -43.72 97.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.841 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -112.89 30.12 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.657 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.97 -50.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.6 OUTLIER -43.76 -53.61 12.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.02 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.36 127.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.455 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.04 177.02 9.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -74.97 -16.34 20.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.18 -22.08 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.433 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -104.19 -3.95 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.728 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 10.7 t80 -93.0 -42.28 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -49.53 -47.08 78.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.46 ' HE3' ' HD1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -33.99 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.494 ' CG1' HD13 ' A' ' 999' ' ' ILE . 2.2 t -51.84 -52.02 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -38.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 957' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.4 OUTLIER -60.45 -54.6 43.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 14.2 t -40.07 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.93 93.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 960' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -54.9 -45.8 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -53.15 -47.66 68.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 1.0 HD22 ' CD2' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -55.88 -54.22 47.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -52.94 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.902 ' O ' HG23 ' A' ' 968' ' ' THR . 2.0 m -64.88 -33.74 76.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.4 OUTLIER -57.28 -46.64 82.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 962' ' ' LEU . 7.0 mp -54.49 -52.46 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.52 33.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.902 HG23 ' O ' ' A' ' 964' ' ' THR . 62.6 p -54.35 -35.9 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 965' ' ' LEU . 45.9 t -63.16 -44.04 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t70 -49.56 -40.27 37.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 975' ' ' VAL . 28.3 mt-10 -78.01 -22.36 49.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.872 ' HB2' HG21 ' A' ' 925' ' ' VAL . 32.6 t -85.66 -24.34 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.813 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -47.61 -52.62 36.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 971' ' ' GLU . 7.0 t -47.11 -28.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.654 ' CD1' HG23 ' A' 1039 ' ' ILE . 1.9 mm? -107.45 149.51 38.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.4 Cg_endo -74.97 67.85 5.83 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . 36.13 -151.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -57.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.754 HG23 HD12 ' A' ' 984' ' ' ILE . 1.4 t -76.19 -5.87 48.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.813 ' CD2' HD22 ' A' ' 973' ' ' LEU . 23.5 m170 -50.12 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.22 -68.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.752 ' HB2' HG11 ' A' 1038 ' ' VAL . 21.5 mt-10 -55.5 -39.9 71.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.754 HD12 HG23 ' A' ' 980' ' ' THR . 9.9 mt -58.31 -45.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.56 -24.43 56.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.755 ' HB3' HD13 ' A' 1035 ' ' LEU . . . -73.08 -29.37 62.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.454 ' NE2' HG21 ' A' ' 969' ' ' VAL . 2.1 mm-40 -73.63 -44.55 56.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -31.43 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.72 ' HG ' HD21 ' A' ' 962' ' ' LEU . 53.5 tp -42.47 -48.57 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 995' ' ' LEU . 0.5 OUTLIER -61.62 -62.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.82 -54.36 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' 1028 ' ' LEU . 1.1 m-20 -63.17 -29.85 71.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 1.0 ' CD2' HD22 ' A' ' 962' ' ' LEU . 1.1 tp -68.63 -57.95 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.45 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.03 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 995' ' ' LEU . 8.3 tt -72.5 -42.22 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.494 HD13 ' CG1' ' A' ' 955' ' ' VAL . 4.6 mm -55.51 -46.84 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' 1001 ' ' LYS . 66.1 t30 -59.69 -54.6 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' 1000 ' ' ASN . 16.7 mmtt -39.82 -33.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 2.4 ttp -79.9 -54.48 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -25.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' 1002 ' ' MET . 14.8 mt -86.47 -54.53 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.728 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -45.05 -40.51 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' 1009 ' ' VAL . 3.8 tp-100 -46.83 -42.33 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -98.77 -24.74 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.622 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 10.0 m-85 -91.54 30.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' 1010 ' ' MET . 11.3 p -118.97 -52.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.491 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -54.06 -40.99 67.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.929 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.707 HG23 ' H ' ' A' 1012 ' ' SER . 0.0 OUTLIER -50.84 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.707 ' H ' HG23 ' A' 1011 ' ' THR . 1.4 p 157.14 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.07 56.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.485 ' NE2' HG23 ' A' 1009 ' ' VAL . 2.4 tp-100 -86.36 -76.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -39.87 -29.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -72.15 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 4.6 m-85 -66.86 -14.85 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -44.43 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.59 -33.67 76.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.18 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.2 ptm -56.8 -24.6 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.879 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.1 tm? -71.17 -52.98 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -43.08 -44.76 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.24 60.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.95 -29.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.91 -59.97 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.65 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.81 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' A' ' 994' ' ' ASP . 0.6 OUTLIER -59.03 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.785 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -41.39 -42.52 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 14.6 t -69.83 -44.14 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 1028 ' ' LEU . 39.6 t0 -45.71 -55.85 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.431 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.75 -37.36 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 3.1 tttt -66.79 -43.94 82.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' 1038 ' ' VAL . 13.2 t-20 -54.19 -40.08 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 987' ' ' ALA . 3.3 tp -54.35 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.984 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.61 -39.51 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -41.17 -48.6 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 983' ' ' GLU . 41.9 t -64.98 -39.39 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.654 HG23 ' CD1' ' A' ' 976' ' ' LEU . 8.5 mt -59.68 -50.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 10.5 t0 -46.03 -43.66 14.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' 1044 ' ' LEU . 15.8 tt0 -61.95 -33.56 74.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -79.24 -29.3 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.82 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' 1045 ' ' LYS . 0.0 OUTLIER -57.3 -27.62 62.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.815 ' N ' HD22 ' A' 1044 ' ' LEU . 0.7 OUTLIER -51.79 -22.04 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 13.3 ttp -78.77 -46.13 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.82 -51.43 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 17.5 p -72.57 58.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.74 -61.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 33.6 t -165.03 93.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1051 ' ' ARG . . . . . 0.539 ' N ' ' CD ' ' A' 1052 ' ' PRO . 0.0 OUTLIER -65.65 -49.69 59.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' 1051 ' ' ARG . 18.3 Cg_endo -75.0 121.61 6.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.537 0.208 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -61.39 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -85.55 53.49 2.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.83 105.62 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.88 174.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.21 58.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.4 m -88.05 36.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.01 -40.32 53.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -22.95 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -63.21 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.733 HG22 HG22 ' A' ' 968' ' ' THR . 97.3 t -59.24 -38.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.861 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.5 m-85 -70.85 -18.82 62.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.4 OUTLIER -75.03 -69.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.49 -45.63 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 925' ' ' VAL . 54.5 t -52.45 -57.24 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 931' ' ' GLY . 1.3 p -67.64 -60.78 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -36.69 -48.83 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.819 HD22 HD22 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -71.74 -50.12 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.5 t -50.94 -41.27 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 23.7 mttt -61.54 -48.32 81.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -59.65 -48.25 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' 1025 ' ' ALA . 2.4 t -38.51 -47.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.73 HD11 ' HB2' ' A' 1029 ' ' ALA . 2.6 mp -84.02 -62.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -33.09 -49.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 943' ' ' ILE . 2.9 ttp -44.6 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.553 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -38.68 -36.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.2 m -61.0 -50.44 73.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.899 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -106.92 28.71 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 1.123 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.53 -51.86 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.7 mt-30 -46.04 -51.47 31.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.99 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.899 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.46 130.51 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.422 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.01 176.17 10.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.98 -13.8 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.24 -23.01 22.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -103.92 -4.85 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 1.123 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.1 t80 -94.12 -41.14 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.599 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -50.72 -46.93 86.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.1 Cg_endo -75.02 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -34.95 -66.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.989 HG21 ' HB2' ' A' 1002 ' ' MET . 0.9 OUTLIER -54.87 -52.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -30.77 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.61 69.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.03 -46.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.98 94.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -57.36 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.72 -47.56 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.819 HD22 HD22 ' A' ' 932' ' ' LEU . 0.3 OUTLIER -57.32 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -55.0 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 17.7 m -62.02 -42.58 99.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.693 HD22 HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -49.46 -48.04 47.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 962' ' ' LEU . 2.7 mp -52.02 -60.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.23 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.733 HG22 HG22 ' A' ' 925' ' ' VAL . 28.2 m -52.38 -40.15 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 965' ' ' LEU . 16.7 t -63.69 -35.75 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.408 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.2 t70 -52.32 -40.41 61.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 975' ' ' VAL . 11.6 mt-10 -71.8 -20.71 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.594 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.19 -30.68 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.511 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -39.77 -51.6 5.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.21 3.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 971' ' ' GLU . 36.0 t -47.25 -27.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.629 ' CD1' HG23 ' A' 1039 ' ' ILE . 1.4 mm? -109.87 158.78 33.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -164.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.25 174.99 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 21.94 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.755 HG23 ' HB2' ' A' 1042 ' ' ALA . 0.2 OUTLIER -114.89 -56.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 0.0 OUTLIER -48.52 -23.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.582 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 980' ' ' THR . 0.2 OUTLIER -68.34 -79.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.491 ' HB2' HG11 ' A' 1038 ' ' VAL . 42.3 mt-10 -55.23 -21.15 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.668 HD11 ' CG1' ' A' 1039 ' ' ILE . 2.4 mt -73.34 -38.34 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.5 OUTLIER -62.89 -41.19 99.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.5 -26.47 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -81.32 -24.83 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.76 -44.12 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -37.62 87.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -49.01 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 962' ' ' LEU . 11.8 tp -54.82 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.1 t-20 -49.81 -42.25 46.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.16 -69.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.651 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.2 m-20 -52.69 -36.11 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 999' ' ' ILE . 0.2 OUTLIER -54.44 -59.21 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 996' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -47.87 -50.6 25.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -59.71 -30.31 68.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 998' ' ' LEU . 0.1 OUTLIER -73.61 -47.46 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.7 HG12 HD12 ' A' ' 995' ' ' LEU . 48.7 mm -49.51 -49.19 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -66.12 -36.74 83.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.79 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.989 ' HB2' HG21 ' A' ' 955' ' ' VAL . 1.6 ttp -81.13 -38.86 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.62 -53.72 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' 1005 ' ' ALA . 4.6 pp -64.44 -35.87 82.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.597 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -71.77 -6.65 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -17.31 17.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -38.41 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.793 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.1 m-85 -72.05 -17.87 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.785 HG13 ' H ' ' A' 1010 ' ' MET . 2.2 p -40.15 -67.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.785 ' H ' HG13 ' A' 1009 ' ' VAL . 0.4 OUTLIER -43.62 -59.48 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 111.052 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.58 ' O ' ' CB ' ' A' 1012 ' ' SER . 90.1 m -36.66 -79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.3 m 152.72 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' 1013 ' ' LEU . 0.9 OUTLIER -61.78 -12.16 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' 1013 ' ' LEU . 17.7 tt0 -34.68 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -41.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' 1013 ' ' LEU . 7.9 tt0 -64.52 -51.42 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 25.7 m-85 -68.92 -27.16 65.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1014 ' ' GLN . 20.7 mmtm -65.37 -43.55 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.61 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -51.01 -51.98 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.446 ' SD ' HD23 ' A' ' 998' ' ' LEU . 2.3 tmm? -47.82 -57.11 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' 1022 ' ' LEU . 2.9 tm? -41.87 -49.41 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -46.29 -51.51 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.26 96.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -50.25 -35.01 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.59 -55.86 17.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.611 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.41 81.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.651 HD21 ' CB ' ' A' ' 994' ' ' ASP . 8.8 mt -56.08 -67.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.73 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.95 -43.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' 1033 ' ' LYS . 39.0 t -69.23 -49.43 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' 1028 ' ' LEU . 67.2 m-20 -43.88 -64.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.44 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -54.85 -25.5 29.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.1 OUTLIER -72.26 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -40.07 -31.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' 1033 ' ' LYS . 3.2 tp -61.97 -70.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.861 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.74 -38.81 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.42 -43.08 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.491 HG11 ' HB2' ' A' ' 983' ' ' GLU . 24.6 t -71.16 -33.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.668 ' CG1' HD11 ' A' ' 984' ' ' ILE . 25.9 mt -63.28 -48.94 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -45.04 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.595 ' HA ' HD21 ' A' 1044 ' ' LEU . 6.1 mt-30 -73.83 -20.74 60.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.234 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.755 ' HB2' HG23 ' A' ' 980' ' ' THR . . . -81.36 -55.17 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -45.04 -42.71 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' 1045 ' ' LYS . 4.4 pp -72.06 -33.04 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.638 ' N ' HD12 ' A' 1044 ' ' LEU . 5.7 tmtm? -50.71 -21.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 26.3 ttp -91.51 -26.14 18.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.6 mm -43.69 -55.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 1.1 t -82.81 86.0 6.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -174.88 -54.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.56 -59.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.19 113.75 7.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -89.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 8.2 m170 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 44.5 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.541 0.21 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.34 59.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -83.32 163.9 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.0 mp -123.93 53.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.36 -39.29 15.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 65.33 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 4.3 m -74.05 61.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -84.33 -33.26 23.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -38.12 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 924' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 1.7 tptp -60.04 -46.91 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 968' ' ' THR . 4.2 t -63.82 -41.04 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.926 ' CE1' HD21 ' A' 1036 ' ' LEU . 4.5 m-30 -70.37 -15.43 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 930' ' ' THR . 9.4 mm-40 -82.46 -66.61 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 924' ' ' LYS . 9.1 m120 -40.67 -41.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.78 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.509 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.7 p -47.79 -48.83 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -59.62 -23.92 59.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -79.82 -58.05 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.627 ' CG1' ' HB3' ' A' 1032 ' ' ALA . 15.7 m -65.49 -27.74 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -67.18 -38.57 85.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -74.54 -55.15 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' 1028 ' ' LEU . 0.4 OUTLIER -39.34 -35.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 938' ' ' GLU . 20.6 mt -85.02 -66.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -32.69 -54.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 8.7 ttm -41.21 -65.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.841 ' CB ' HD23 ' A' 1022 ' ' LEU . 18.8 p -39.98 -38.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -60.53 -46.7 89.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.86 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -109.39 28.85 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.546 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.3 OUTLIER -94.93 -52.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.24 -54.45 5.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.97 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.86 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -30.75 129.66 0.26 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.08 -13.98 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.64 -30.36 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.471 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -93.52 -5.79 48.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.9 -43.86 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.15 -47.94 55.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.06 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -34.17 -51.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.881 HG21 ' HB2' ' A' 1002 ' ' MET . 18.6 t -66.67 -47.27 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -45.82 -39.77 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 957' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 960' ' ' LEU . 7.0 tt0 -59.74 -61.54 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 83.1 t -41.68 -34.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.9 83.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 960' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -55.36 -40.95 71.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -57.29 -41.43 79.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.584 HD11 ' HG ' ' A' ' 991' ' ' LEU . 1.5 mm? -58.94 -51.64 69.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -58.51 5.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 55.5 m -60.09 -46.07 90.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 1.064 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.2 tm? -47.47 -46.8 27.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 962' ' ' LEU . 0.3 OUTLIER -51.65 -64.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.09 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.526 HG22 HG22 ' A' ' 925' ' ' VAL . 1.8 m -51.17 -37.03 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 1.064 HG23 ' O ' ' A' ' 965' ' ' LEU . 61.4 t -65.26 -40.71 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.897 ' HA ' HD12 ' A' ' 973' ' ' LEU . 4.2 t70 -51.64 -32.52 29.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 975' ' ' VAL . 20.5 mt-10 -73.39 -23.09 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.57 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.0 OUTLIER -85.53 -28.86 24.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.897 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.2 OUTLIER -40.44 -51.58 6.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 51.4 t -53.56 -34.54 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.865 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.2 mm? -109.03 157.39 37.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.449 ' O ' ' NZ ' ' A' 1045 ' ' LYS . . . -69.63 166.01 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 76.97 31.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.637 ' HB ' HD12 ' A' ' 984' ' ' ILE . 0.6 OUTLIER -116.85 -60.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.873 ' HB3' HD21 ' A' ' 973' ' ' LEU . 1.9 p-80 -44.88 -49.03 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -48.55 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.516 ' CB ' HG11 ' A' 1038 ' ' VAL . 7.4 mt-10 -51.69 -43.81 62.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.637 HD12 ' HB ' ' A' ' 980' ' ' THR . 84.3 mt -57.52 -32.88 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -64.85 -41.67 95.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.0 mtm -71.99 -18.44 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.94 -24.12 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -74.84 -40.31 61.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -37.21 67.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -41.57 77.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' A' ' 962' ' ' LEU . 8.8 tp -66.71 -60.11 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.12 -48.52 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 3.3 t -47.09 -71.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.583 ' HB3' HD21 ' A' 1028 ' ' LEU . 5.7 m-20 -50.96 -36.64 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.534 HD11 HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -55.11 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.03 -51.47 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.62 -43.06 84.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.787 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.94 -44.85 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 33.1 mm -52.14 -45.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' 1001 ' ' LYS . 11.3 t-20 -71.26 -46.48 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' 1000 ' ' ASN . 14.3 mmtp -39.02 -36.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.881 ' HB2' HG21 ' A' ' 955' ' ' VAL . 13.4 tmm? -75.93 -55.52 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -49.6 -30.42 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' 1007 ' ' GLN . 21.7 mt -82.66 -61.81 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' 1009 ' ' VAL . . . -44.65 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.414 ' HG2' ' CB ' ' A' ' 948' ' ' PRO . 0.1 OUTLIER -52.12 -36.38 51.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1007 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1004 ' ' LEU . 6.3 tt0 -97.78 -31.64 12.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.637 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 50.8 m-85 -88.46 30.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.61 HG23 ' HG3' ' A' 1014 ' ' GLN . 7.5 p -121.01 -49.27 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.592 ' HE2' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.84 51.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.592 HG23 ' HE2' ' A' 1010 ' ' MET . 1.1 p -145.86 -66.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 5.1 p 167.87 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.613 HD12 ' CD1' ' A' 1017 ' ' TYR . 0.8 OUTLIER -81.62 51.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.61 ' HG3' HG23 ' A' 1009 ' ' VAL . 8.4 tt0 -76.63 -65.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -47.64 -24.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -68.23 -59.74 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -74.22 -30.66 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.75 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -48.68 78.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -43.07 -53.64 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -44.72 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.841 HD23 ' CB ' ' A' ' 940' ' ' SER . 2.4 tm? -56.14 -47.82 77.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.7 m -42.61 -54.71 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.4 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.8 93.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -48.39 -37.67 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -57.06 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.16 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.787 ' CD1' HD13 ' A' ' 998' ' ' LEU . 7.6 mt -56.21 -65.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -39.5 -40.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 14.9 t -71.81 -52.08 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.438 ' OD2' HD23 ' A' 1028 ' ' LEU . 72.1 m-20 -43.38 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.627 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.17 -32.99 62.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -66.42 -50.44 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.66 -23.28 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.26 -68.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.926 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.39 -40.54 96.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.6 -51.32 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.516 HG11 ' CB ' ' A' ' 983' ' ' GLU . 11.1 t -62.3 -38.53 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.865 HG23 ' HG ' ' A' ' 976' ' ' LEU . 12.2 mt -64.35 -41.71 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -39.14 62.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.546 ' HA ' HD21 ' A' 1044 ' ' LEU . 1.9 mt-30 -77.85 -18.54 56.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.633 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -84.36 -44.7 13.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -56.99 -39.81 75.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' 1045 ' ' LYS . 4.5 pp -74.25 -32.0 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -50.16 -21.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' 1044 ' ' LEU . 21.0 ttp -91.09 -25.66 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.5 mm -45.14 -80.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 68.41 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.21 75.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 2.1 m -159.53 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.79 117.35 31.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 48.3 m80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.589 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.53 0.205 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -67.66 169.91 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.46 108.86 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 2.9 mp -125.04 112.37 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -88.29 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 4.6 m -86.19 -42.86 13.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -63.86 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -42.67 58.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 924' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 0.5 OUTLIER -41.02 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.953 HG21 ' HB2' ' A' ' 972' ' ' SER . 65.1 t -48.76 -62.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.712 ' CE1' ' CD2' ' A' 1036 ' ' LEU . 0.2 OUTLIER -38.87 -62.59 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 928' ' ' ASN . 2.1 mm-40 -42.57 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 927' ' ' GLU . 14.1 m120 -39.58 -65.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' 1036 ' ' LEU . 84.7 t -39.93 -59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 2.0 m -55.34 -61.8 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 932' ' ' LEU . . . -43.88 -73.96 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -37.8 -39.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.743 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -69.98 -56.3 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 931' ' ' GLY . 0.2 OUTLIER -52.32 -21.45 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -85.12 -49.61 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 933' ' ' VAL . 0.3 OUTLIER -39.77 -38.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.7 mt -83.91 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.88 -47.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 943' ' ' ILE . 28.3 ttm -49.14 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.554 ' CB ' HD23 ' A' 1022 ' ' LEU . 4.9 m -41.57 -36.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.93 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.89 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -111.17 28.1 9.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -95.06 -49.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.23 -53.08 24.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -35.39 124.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 176.84 9.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.451 ' O ' ' NE2' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.99 -14.36 21.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 -14.78 36.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.499 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 3.7 tt0 -114.66 -9.53 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.681 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 8.7 t80 -89.62 -37.7 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.847 HG23 ' NE2' ' A' 1006 ' ' GLN . 1.0 OUTLIER -48.83 -48.02 71.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -29.06 -65.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.609 ' CG1' HD13 ' A' ' 999' ' ' ILE . 2.5 t -58.86 -47.96 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.56 -39.65 35.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -41.03 87.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 995' ' ' LEU . 97.8 t -57.89 -36.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.75 -44.96 91.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -42.27 91.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.38 95.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 966' ' ' LEU . 0.0 OUTLIER -61.95 -46.98 86.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 963' ' ' ARG . . . . . 0.438 ' N ' HD23 ' A' ' 962' ' ' LEU . 3.3 mtt180 -50.8 -51.44 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.824 ' O ' HG23 ' A' ' 968' ' ' THR . 2.9 m -64.97 -35.06 79.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.872 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.9 OUTLIER -56.51 -38.56 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.8 mp -62.29 -50.48 71.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.87 -57.58 12.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 964' ' ' THR . 56.6 p -51.39 -39.96 58.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 965' ' ' LEU . 15.8 t -56.35 -46.57 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -49.83 -41.34 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 975' ' ' VAL . 2.5 tt0 -73.69 -22.08 60.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.953 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.2 OUTLIER -85.23 -24.01 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.1 OUTLIER -46.34 -53.01 25.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -31.79 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 971' ' ' GLU . 11.1 t -47.12 -32.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.789 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.0 OUTLIER -110.12 154.31 42.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.455 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.5 Cg_endo -74.95 155.26 43.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -57.18 107.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.46 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.599 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 3.4 t -110.83 10.2 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -52.74 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -44.35 -58.7 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 987' ' ' ALA . 1.1 mt-10 -49.88 -47.19 52.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.497 HD11 HG12 ' A' 1039 ' ' ILE . 4.3 mt -51.8 -50.59 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -44.05 87.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -26.58 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -70.78 -26.69 63.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.489 ' HG2' HD11 ' A' 1035 ' ' LEU . 4.6 mt-30 -74.56 -48.91 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.97 -34.65 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -56.39 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 54.4 tp -51.09 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -43.47 -53.05 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.661 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.4 m-20 -50.24 -40.96 49.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 958' ' ' VAL . 0.3 OUTLIER -54.27 -60.82 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 996' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.83 -53.36 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.69 -44.26 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.728 HD13 ' CD1' ' A' 1028 ' ' LEU . 1.9 tt -63.85 -43.99 94.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.609 HD13 ' CG1' ' A' ' 955' ' ' VAL . 14.2 mm -57.33 -48.15 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.44 -46.59 79.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -45.78 -45.02 14.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.519 ' HB2' HG21 ' A' ' 955' ' ' VAL . 4.9 ttp -64.3 -43.42 94.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.02 -27.73 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 43.9 mt -81.42 -58.78 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.681 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -40.84 -43.45 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.847 ' NE2' HG23 ' A' ' 952' ' ' VAL . 1.1 tp60 -41.91 -43.51 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -34.14 10.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' 1017 ' ' TYR . 37.8 m-85 -87.72 39.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' 1014 ' ' GLN . 2.6 p -112.4 -45.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.537 ' O ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -86.98 57.98 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.537 HG23 ' O ' ' A' 1010 ' ' MET . 1.2 p -155.07 20.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1014 ' ' GLN . 0.9 OUTLIER 73.34 -54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -38.66 -26.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' 1012 ' ' SER . 0.4 OUTLIER -30.88 -69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.1 OUTLIER -36.62 -49.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' 1013 ' ' LEU . 6.9 tp10 -65.39 -59.24 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.705 ' CZ ' ' CG ' ' A' 1008 ' ' TYR . 0.4 OUTLIER -45.59 -37.29 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.48 ' CD ' ' HG2' ' A' 1014 ' ' GLN . 0.6 OUTLIER -59.72 -45.41 92.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 -40.83 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -53.75 -58.21 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -47.49 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' 1022 ' ' LEU . 1.9 tm? -52.77 -53.55 46.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.5 m -39.4 -51.95 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.69 76.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -44.85 -37.34 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -56.73 15.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.728 ' CD1' HD13 ' A' ' 998' ' ' LEU . 11.6 mt -58.59 -66.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.743 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -38.29 -38.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.7 t -76.82 -49.73 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1028 ' ' LEU . 35.8 t0 -44.61 -58.92 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.563 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -58.38 -33.35 69.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' 1037 ' ' ASP . 0.0 OUTLIER -66.26 -57.36 7.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 12.4 t30 -46.88 -30.81 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.846 ' O ' HG12 ' A' 1038 ' ' VAL . 5.4 tt -59.25 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.712 ' CD2' ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -66.78 -35.4 79.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1037 ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' 1033 ' ' LYS . 30.5 t0 -47.78 -56.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.846 HG12 ' O ' ' A' 1035 ' ' LEU . 11.0 p -58.52 -32.12 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.789 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.9 mt -67.14 -45.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 7.5 t0 -48.62 -39.27 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.619 ' HA ' HD21 ' A' 1044 ' ' LEU . 6.5 mt-30 -72.82 -26.89 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.44 -45.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -50.99 -47.56 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' 1045 ' ' LYS . 4.3 pp -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.773 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.55 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.5 OUTLIER -80.54 -55.47 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp -44.47 -52.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 3.1 m -82.43 66.96 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -165.06 174.18 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.2 m -78.84 80.16 5.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -63.12 111.7 5.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -175.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.516 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 916' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 919' ' ' ASP . . . -72.16 147.54 46.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -46.09 -43.93 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.4 mp -118.21 55.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 919' ' ' ASP . . . . . 0.713 ' HB2' ' HB3' ' A' ' 916' ' ' ALA . 0.8 OUTLIER -109.81 -56.89 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 920' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 923' ' ' ASP . 1.1 tpm_? -87.97 67.48 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -35.5 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 0.4 OUTLIER -61.27 -24.07 66.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 924' ' ' LYS . 0.0 OUTLIER -75.53 -32.08 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 924' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 923' ' ' ASP . 2.3 ttmt -60.77 -58.15 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.885 ' O ' HG23 ' A' ' 929' ' ' VAL . 86.4 t -58.63 -41.11 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 1.082 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.2 m-85 -68.26 -19.77 64.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.7 OUTLIER -76.11 -68.19 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -44.13 -38.46 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 925' ' ' VAL . 78.1 t -58.07 -54.39 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' GLY . 4.9 p -73.62 -59.67 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.64 -49.01 0.99 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -71.52 -50.35 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -52.14 -35.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 0.1 OUTLIER -61.56 -47.73 84.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -65.05 -44.68 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.423 HG23 HD12 ' A' ' 932' ' ' LEU . 14.4 t -39.9 -45.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 938' ' ' GLU . 1.7 mp -84.46 -63.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.4 -43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 942' ' ' LYS . 1.4 ttp -49.0 -71.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.555 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.9 t -40.04 -31.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.946 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.59 71.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.852 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -104.38 23.44 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.956 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.47 -51.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.31 -54.54 5.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.98 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.852 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.01 127.95 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.463 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -75.0 177.18 8.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.503 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.98 -20.15 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.81 -17.73 40.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.466 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -109.94 -2.87 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.956 ' CE1' HD11 ' A' ' 943' ' ' ILE . 6.5 t80 -92.31 -36.17 13.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.58 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -52.49 -47.36 93.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.505 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -30.71 -53.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.811 HG21 ' CB ' ' A' 1002 ' ' MET . 51.3 t -65.76 -52.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 953' ' ' PRO . 1.5 mmtt -40.14 -37.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -60.08 3.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -45.31 -42.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.467 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -56.6 -48.04 79.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -43.99 74.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.07 81.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.969 HD13 HD13 ' A' ' 995' ' ' LEU . 1.6 mt -60.69 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.93 -55.72 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 -35.76 73.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.8 tm? -53.7 -53.92 45.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 8.2 mp -46.64 -55.61 7.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.8 87.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.529 HG22 HG22 ' A' ' 925' ' ' VAL . 90.1 m -52.23 -47.1 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 965' ' ' LEU . 86.8 t -60.11 -38.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 9.0 t70 -50.08 -37.4 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.505 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.1 mt-10 -77.22 -23.29 51.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.695 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.2 OUTLIER -85.76 -28.56 24.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.07 -50.92 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.94 -36.19 2.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 15.1 t -47.37 -30.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.738 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.3 mm? -109.08 159.86 29.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 979' ' ' SER . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -66.28 73.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 977' ' ' PRO . 19.3 t -147.6 -43.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.068 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.889 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 1.4 t -91.32 -7.37 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -54.01 -57.75 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.634 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.08 -66.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.34 -40.25 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.707 HD11 ' CG1' ' A' 1039 ' ' ILE . 14.0 mt -55.18 -49.06 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -23.0 61.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.62 69.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -62.18 -54.49 40.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -57.66 -26.62 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -53.65 35.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 11.2 tp -57.42 -50.63 72.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.428 ' HA ' HD23 ' A' ' 995' ' ' LEU . 0.9 OUTLIER -49.29 -59.52 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 993' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 992' ' ' ASN . 44.6 t -38.73 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' 1028 ' ' LEU . 12.7 t0 -53.59 -40.62 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.969 HD13 HD13 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -50.02 -56.29 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.8 -40.99 70.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.47 -40.3 96.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.962 HD13 ' CD1' ' A' 1028 ' ' LEU . 3.2 tt -68.82 -35.96 77.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.686 HD13 ' CG1' ' A' ' 955' ' ' VAL . 32.6 mm -65.62 -43.1 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.593 ' O ' HD23 ' A' 1004 ' ' LEU . 35.0 t30 -68.13 -46.41 70.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -35.31 8.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.811 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -81.38 -26.06 35.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' 1002 ' ' MET . 8.3 mtmt -64.2 -50.13 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' 1000 ' ' ASN . 0.1 OUTLIER -66.0 -56.15 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.612 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -42.15 -46.04 4.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 0.3 OUTLIER -40.81 -43.81 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -97.23 -29.33 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.763 ' CG ' ' CE2' ' A' 1017 ' ' TYR . 33.4 m-85 -89.63 26.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.895 HG23 ' HG3' ' A' 1014 ' ' GLN . 12.9 p -118.46 -51.18 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.738 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.99 52.62 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.738 HG23 ' CE ' ' A' 1010 ' ' MET . 0.7 OUTLIER -144.9 -70.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' 1008 ' ' TYR . 0.2 OUTLIER -80.99 50.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.895 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.9 OUTLIER -85.16 -70.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -37.06 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.3 tp10 -72.18 -66.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.763 ' CE2' ' CG ' ' A' 1008 ' ' TYR . 4.6 m-85 -59.14 -21.52 59.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.557 ' CE ' HD12 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -71.64 -40.83 69.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -60.04 -60.34 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' 1022 ' ' LEU . 5.4 ptm -53.89 -24.09 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.751 HD13 ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -73.81 -49.61 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 14.5 m -42.81 -51.72 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.29 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -52.38 -36.23 53.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -55.59 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.12 75.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.962 ' CD1' HD13 ' A' ' 998' ' ' LEU . 9.4 mt -58.67 -65.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.62 -40.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.4 t -73.8 -49.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.89 -58.95 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.52 65.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -65.38 -62.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.638 ' O ' HG23 ' A' 1038 ' ' VAL . 11.1 t-20 -40.42 -39.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.94 -67.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1036 ' ' LEU . . . . . 1.082 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -64.39 -42.21 96.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1037 ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' 1036 ' ' LEU . 2.5 t70 -39.87 -52.5 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 1034 ' ' ASN . 65.4 t -61.07 -41.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.738 HG23 ' HG ' ' A' ' 976' ' ' LEU . 10.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' 1044 ' ' LEU . 0.0 OUTLIER -73.48 -20.05 60.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.889 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -90.41 -39.08 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -51.42 -55.27 19.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' 1045 ' ' LYS . 0.0 OUTLIER -66.64 -34.28 77.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' 1044 ' ' LEU . 6.6 tmtm? -48.77 -27.01 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.8 ttm -81.88 -27.93 33.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' 1044 ' ' LEU . 7.7 mm -59.31 -62.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.22 76.46 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -177.83 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 21.3 t -169.31 106.22 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.97 148.45 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.548 0.214 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.89 100.92 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.9 65.56 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.71 51.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -104.96 41.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -65.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 63.4 m -86.93 -24.54 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 1.6 t-20 -69.15 -12.92 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.24 -45.49 39.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -53.36 58.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 929' ' ' VAL . 12.0 t -56.71 -47.14 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.798 ' CE1' HD21 ' A' 1036 ' ' LEU . 3.4 m-85 -64.68 -28.8 69.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.36 -68.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.562 ' OD1' HG21 ' A' ' 968' ' ' THR . 15.0 m120 -43.67 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 925' ' ' VAL . 74.4 t -41.99 -59.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.7 p -66.72 -64.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.42 -47.57 0.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.32 -51.67 34.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -54.82 -29.78 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.05 -49.09 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.48 95.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.468 HG23 HD12 ' A' ' 932' ' ' LEU . 41.1 t -40.24 -48.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' 1029 ' ' ALA . 1.4 mp -84.35 -61.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.4 OUTLIER -36.15 -49.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 29.4 ttm -47.66 -63.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.56 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 89.2 p -43.77 -33.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -40.19 93.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.896 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.8 OUTLIER -112.96 25.42 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.63 -48.57 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.15 -54.42 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -74.99 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -31.66 128.56 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.476 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.02 -15.83 20.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.64 -24.53 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.465 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -99.93 -5.23 28.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.588 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -92.81 -40.39 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -49.9 -46.83 81.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -75.01 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.511 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -33.41 -51.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 999' ' ' ILE . 54.6 t -66.55 -50.04 70.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -45.2 -32.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -42.72 70.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.691 HG13 HD11 ' A' ' 995' ' ' LEU . 0.4 OUTLIER -55.0 -46.81 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.444 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -54.77 -45.69 78.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.74 90.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 1.016 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -65.52 -38.57 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 963' ' ' ARG . . . . . 0.742 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -61.32 -56.3 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 968' ' ' THR . 3.6 m -56.41 -34.68 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.968 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.1 tm? -51.28 -47.81 62.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 966' ' ' LEU . 4.2 mt -57.7 -50.79 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -57.9 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 964' ' ' THR . 62.8 p -40.6 -46.09 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 965' ' ' LEU . 69.1 t -53.18 -46.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 973' ' ' LEU . 33.4 t0 -51.62 -28.82 15.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.847 ' O ' HG23 ' A' ' 975' ' ' VAL . 3.7 tt0 -75.17 -23.78 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.446 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.0 OUTLIER -86.09 -21.26 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.2 OUTLIER -48.07 -53.31 34.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 971' ' ' GLU . 48.0 t -59.63 -29.55 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.9 OUTLIER -105.97 158.36 32.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.764 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.68 168.27 19.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.05 34.08 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.85 HG21 ' HB3' ' A' ' 976' ' ' LEU . 0.8 OUTLIER -113.93 -55.89 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.871 ' HB3' HD21 ' A' ' 973' ' ' LEU . 1.8 p80 -48.15 -62.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -33.1 -71.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -61.18 -45.94 92.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.558 HD12 ' HB ' ' A' ' 980' ' ' THR . 45.3 mt -53.89 -39.61 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.696 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.8 OUTLIER -58.36 -48.7 79.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.8 mtm -65.03 -17.82 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 987' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' 1035 ' ' LEU . . . -84.73 -29.17 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.415 ' OE1' HG21 ' A' ' 969' ' ' VAL . 2.0 mm100 -75.7 -45.12 38.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -44.51 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 965' ' ' LEU . 14.3 tp -64.26 -63.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -46.16 -40.45 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 43.8 t -54.62 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.719 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.2 m-20 -45.48 -35.58 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.691 HD11 HG13 ' A' ' 958' ' ' VAL . 0.2 OUTLIER -61.81 -67.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 996' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.75 -53.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -56.08 -48.33 76.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.606 HD13 ' C ' ' A' ' 998' ' ' LEU . 2.3 tm? -61.91 -44.6 96.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 955' ' ' VAL . 19.8 mm -58.26 -41.27 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.43 -48.04 44.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' 1004 ' ' LEU . 1.8 tptt -60.39 -61.92 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.639 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -46.16 -31.82 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.0 OUTLIER -64.61 -37.8 88.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' 1001 ' ' LYS . 5.6 mt -80.16 -37.33 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -45.99 -39.17 8.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.621 ' O ' HG12 ' A' 1009 ' ' VAL . 1.3 mp0 -51.48 -42.66 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -30.22 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.513 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.9 m-85 -87.71 39.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.868 HG23 ' HG3' ' A' 1014 ' ' GLN . 7.1 p -127.4 -44.74 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -26.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.719 HG23 ' H ' ' A' 1013 ' ' LEU . 9.3 t -104.48 -163.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' 1011 ' ' THR . 7.4 p -79.24 -27.09 42.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.731 HD13 ' HB3' ' A' 1016 ' ' GLU . 0.2 OUTLIER -41.91 -28.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.868 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.6 OUTLIER -37.12 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -37.06 -33.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.731 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.3 OUTLIER -65.71 -62.2 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.553 ' HD1' HD12 ' A' 1013 ' ' LEU . 1.6 m-85 -58.91 -41.88 88.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.407 ' HD2' HG23 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -52.36 -34.93 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1019 ' ' LYS . . . . . 0.426 ' HE2' ' CA ' ' A' 1019 ' ' LYS . 0.2 OUTLIER -78.62 -24.24 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.44 -59.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' 1022 ' ' LEU . 4.3 ppp? -55.6 -35.61 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.653 HD13 ' C ' ' A' 1022 ' ' LEU . 2.5 tm? -58.8 -48.63 80.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 24.0 m -50.75 -44.5 58.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1024 ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' 1028 ' ' LEU . . . -66.27 -42.22 88.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.415 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -57.36 -34.32 68.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -69.43 -51.87 32.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.04 79.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.719 HD21 ' CB ' ' A' ' 994' ' ' ASP . 11.5 mt -59.13 -66.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.755 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -38.89 -40.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.2 t -74.43 -53.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -44.61 -55.13 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 1.185 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.489 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -57.06 -34.51 68.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.3 tptt -70.14 -51.65 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.1 t30 -48.96 -34.82 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.436 ' CB ' ' HB1' ' A' ' 987' ' ' ALA . 3.4 tt -59.4 -68.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.798 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -48.15 -37.52 15.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' 1042 ' ' ALA . 2.7 t -78.48 -25.72 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.514 HG23 HD11 ' A' ' 976' ' ' LEU . 13.9 mt -69.85 -58.34 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.9 -53.68 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.768 ' HA ' HD21 ' A' 1044 ' ' LEU . 19.1 pt20 -63.89 -29.18 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.852 ' HB3' HD12 ' A' ' 976' ' ' LEU . . . -70.46 -50.55 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.43 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 2.1 ttp-105 -44.81 -67.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.768 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.1 pp -41.79 -44.17 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' 1042 ' ' ALA . 0.2 OUTLIER -39.42 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.454 ' N ' ' C ' ' A' 1044 ' ' LEU . 10.5 ttp -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' 1048 ' ' SER . 1.9 mp -45.55 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1048 ' ' SER . . . . . 0.455 ' N ' HG22 ' A' 1047 ' ' ILE . 0.2 OUTLIER -66.8 72.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1049 ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' 1047 ' ' ILE . 0.0 OUTLIER -174.29 42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.03 -50.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -100.9 108.55 54.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.68 3.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.192 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -91.12 92.42 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.01 -179.35 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.5 mp -124.5 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.16 -63.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.56 39.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.9 p -87.07 -87.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -64.71 -13.98 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.1 t0 -76.63 -33.07 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.17 57.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.53 -56.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.863 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.5 m-30 -59.43 -31.18 69.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 27.0 mm-40 -73.39 -52.22 14.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -50.62 -49.02 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.725 HG22 HD12 ' A' ' 965' ' ' LEU . 49.2 t -56.59 -60.08 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.3 p -49.93 -52.58 32.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -57.98 -30.32 63.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.32 -57.77 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 0.719 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' 1032 ' ' ALA . 27.0 m -64.77 -36.1 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 930' ' ' THR . 9.4 mmtt -57.69 -33.95 68.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -84.37 -46.68 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.498 HG23 HD12 ' A' ' 932' ' ' LEU . 5.0 t -38.12 -41.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 938' ' ' GLU . 25.7 mt -83.77 -65.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -31.09 -45.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 942' ' ' LYS . 2.1 ttp -49.6 -70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.518 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 79.6 p -38.69 -34.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.4 m -64.93 -49.38 70.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.845 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.11 24.09 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.772 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.81 -51.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.491 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -43.13 -53.36 10.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.845 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -32.69 128.41 0.36 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.469 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.92 177.24 8.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.04 -20.34 16.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.78 56.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -117.35 -2.89 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.772 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.2 t80 -92.57 -41.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -49.89 -47.49 80.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.469 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -31.93 -54.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.784 HG11 ' HA ' ' A' ' 999' ' ' ILE . 42.7 t -66.97 -50.11 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.8 OUTLIER -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -61.45 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.448 ' O ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -45.14 -44.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.417 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.5 -41.0 79.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -51.98 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -40.3 -59.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.81 ' HG ' HD22 ' A' ' 995' ' ' LEU . 3.6 mm? -44.04 -55.65 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.61 -55.35 6.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 968' ' ' THR . 11.6 m -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.826 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.2 OUTLIER -53.63 -40.84 66.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.0 mp -58.17 -58.95 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.22 -57.92 7.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 964' ' ' THR . 77.0 p -49.72 -42.74 46.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 965' ' ' LEU . 38.8 t -60.15 -41.2 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -49.14 -42.63 40.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.2 mt-10 -70.99 -23.39 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.736 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.19 -27.46 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.2 OUTLIER -41.34 -53.83 6.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -34.37 3.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.2 t -46.47 -32.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.852 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.7 OUTLIER -110.02 154.21 42.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.01 -165.24 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.797 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -65.53 161.31 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 m 87.81 16.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.554 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 2.1 p -116.54 -55.96 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 12.7 p80 -46.81 -21.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 980' ' ' THR . 12.4 tpp180 -83.21 -69.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.996 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.2 OUTLIER -61.76 -41.16 97.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 4.9 mt -56.48 -55.77 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 3.8 tm-20 -52.76 -43.36 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -27.22 64.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -79.61 -15.67 57.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -84.75 -47.8 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 993' ' ' SER . 6.1 tmtt? -56.81 -43.83 81.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.753 HD12 HD22 ' A' 1028 ' ' LEU . 33.8 tp -51.94 -46.16 64.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.506 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.8 t-20 -61.87 -38.5 88.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 993' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 989' ' ' LYS . 29.0 t -58.82 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.656 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.4 m-20 -53.21 -22.19 6.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.81 HD22 ' HG ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -65.07 -59.97 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 996' ' ' ALA . . . . . 0.412 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -55.25 -53.71 52.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -24.54 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' 1028 ' ' LEU . 0.3 OUTLIER -71.85 -53.3 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.784 ' HA ' HG11 ' A' ' 955' ' ' VAL . 1.5 mp -49.04 -48.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 3.0 t-20 -62.57 -51.35 67.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 11.7 mmtt -39.81 -36.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.574 ' HB2' HG21 ' A' ' 955' ' ' VAL . 9.8 tmm? -76.68 -57.67 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' 1002 ' ' MET . 4.0 mtpm? -42.51 -28.31 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' 1002 ' ' MET . 9.6 mt -83.66 -57.12 3.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -40.62 -31.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.797 ' O ' HG12 ' A' 1009 ' ' VAL . 0.9 OUTLIER -56.54 -54.17 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.56 -7.4 57.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 20.0 m-85 -108.09 27.34 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' 1006 ' ' GLN . 5.3 p -119.13 -35.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.5 ' CE ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -81.48 16.29 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.5 ' HB ' ' CE ' ' A' 1010 ' ' MET . 4.7 t -134.11 9.12 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.2 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.495 HD12 ' CD1' ' A' 1008 ' ' TYR . 0.2 OUTLIER -62.43 -14.03 36.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.549 ' HB2' HG23 ' A' 1009 ' ' VAL . 1.8 tt0 -44.06 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 3.4 pp0? -36.65 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.9 tt0 -69.53 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 5.8 m-85 -69.95 -10.48 58.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.29 -52.05 25.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -31.01 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -59.64 -61.74 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' 1022 ' ' LEU . 2.1 ptm -54.04 -24.37 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.495 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -73.78 -45.55 51.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.3 m -46.66 -46.74 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.81 58.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1025 ' ' ALA . . . . . 0.425 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -58.73 -31.56 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1026 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.9 OUTLIER -75.27 -53.26 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.37 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.753 HD22 HD12 ' A' ' 991' ' ' LEU . 8.3 mt -56.21 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.485 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -38.21 -46.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1030 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -70.82 -53.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -42.87 -53.36 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.834 ' HB3' HG11 ' A' ' 933' ' ' VAL . . . -55.78 -39.34 71.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' 1030 ' ' VAL . 2.3 tppt? -65.67 -44.06 87.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -56.49 -33.66 66.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.44 -62.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.863 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.31 -41.05 94.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -40.06 -50.93 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.996 HG11 ' HB3' ' A' ' 983' ' ' GLU . 51.2 t -62.81 -41.76 93.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.852 HG23 ' HG ' ' A' ' 976' ' ' LEU . 18.9 mt -58.77 -45.67 91.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1040 ' ' ASP . . . . . 0.5 ' HA ' ' CD ' ' A' 1043 ' ' ARG . 0.5 OUTLIER -50.46 -40.68 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' 1045 ' ' LYS . 28.5 mt-30 -75.52 -18.51 59.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -79.96 -64.38 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.5 ' CD ' ' HA ' ' A' 1040 ' ' ASP . 0.0 OUTLIER -38.24 -64.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' 1045 ' ' LYS . 4.2 pp -52.24 -38.87 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.622 ' N ' HD12 ' A' 1044 ' ' LEU . 0.6 OUTLIER -42.98 -27.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.424 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -90.9 -56.28 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.17 -47.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 3.9 t -55.41 -62.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -58.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 39.1 t -172.94 125.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.994 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -93.46 117.01 67.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.533 0.206 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 916' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 918' ' ' LEU . . . -104.09 94.87 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.16 69.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 918' ' ' LEU . . . . . 0.474 HD13 ' HB1' ' A' ' 916' ' ' ALA . 3.9 mp -125.02 55.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -83.3 8.68 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 50.6 m -87.31 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.671 ' ND2' HH22 ' A' 1043 ' ' ARG . 12.3 p-10 -71.5 -7.46 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.43 -28.42 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 968' ' ' THR . 68.4 t -56.37 -45.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.8 m-85 -66.87 -34.61 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -66.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -45.18 -41.0 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 930' ' ' THR . 2.1 t -55.74 -63.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.444 ' N ' HG12 ' A' ' 929' ' ' VAL . 3.3 p -55.09 -65.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.81 -36.88 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.864 HD23 HG13 ' A' ' 933' ' ' VAL . 0.0 OUTLIER -68.86 -72.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.864 HG13 HD23 ' A' ' 932' ' ' LEU . 8.1 m -48.27 -30.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.17 -38.55 86.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.8 -49.38 12.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 935' ' ' ALA . 3.7 t -36.9 -39.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 938' ' ' GLU . 11.3 mt -84.82 -68.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -32.51 -48.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.4 ttp -47.27 -66.38 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' 1022 ' ' LEU . 1.5 m -38.17 -37.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -63.85 -51.81 62.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.858 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -98.72 25.13 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.614 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.09 -49.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.2 -53.19 17.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.96 -50.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.77 123.27 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.471 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.05 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.471 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -15.18 20.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.83 -26.34 21.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.539 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -102.02 -12.67 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.73 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 16.5 t80 -89.86 -31.14 17.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.607 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.5 t -50.65 -46.55 85.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.05 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -31.47 -64.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.958 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.851 HG21 ' HB2' ' A' 1002 ' ' MET . 25.1 t -56.42 -51.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -47.71 -35.06 9.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -39.5 91.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -56.83 -41.95 76.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -57.92 -39.36 91.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -41.23 86.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -73.12 -41.84 63.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 1.018 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -68.11 -39.59 82.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 963' ' ' ARG . . . . . 0.745 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -62.64 -51.24 68.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 968' ' ' THR . 21.3 m -59.1 -27.95 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.4 OUTLIER -56.56 -57.05 14.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 5.6 mp -46.62 -52.46 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.69 -55.19 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -52.54 -36.25 55.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 965' ' ' LEU . 56.2 t -64.46 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 12.2 t70 -50.6 -39.72 50.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.4 mt-10 -69.57 -23.08 63.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 972' ' ' SER . . . . . 1.002 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -83.83 -32.35 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.3 OUTLIER -36.58 -53.13 1.81 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -40.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 971' ' ' GLU . 66.2 t -51.99 -34.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 972' ' ' SER . 0.2 OUTLIER -108.57 159.3 31.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.488 ' O ' HG23 ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.478 ' HB1' ' CD2' ' A' ' 981' ' ' HIS . . . -63.23 -13.17 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 54.6 p -59.94 -18.98 49.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.807 HG22 ' HB1' ' A' 1042 ' ' ALA . 0.7 OUTLIER -106.08 40.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.478 ' CD2' ' HB1' ' A' ' 978' ' ' ALA . 1.7 m-70 -84.79 -95.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.401 ' HB3' ' HE3' ' A' ' 986' ' ' MET . 84.0 mtt180 -54.07 -44.43 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -50.26 -46.38 54.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 988' ' ' GLN . 4.4 mt -68.12 -35.23 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.56 -41.29 98.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 986' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' A' ' 982' ' ' ARG . 2.6 mtm -69.85 -35.82 75.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.13 62.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.664 ' NE2' HG11 ' A' ' 969' ' ' VAL . 3.0 mm100 -83.29 -42.95 16.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -25.63 67.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -57.36 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.63 -48.73 39.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.458 ' HA ' HD23 ' A' ' 995' ' ' LEU . 7.5 t30 -57.29 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 993' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 992' ' ' ASN . 0.3 OUTLIER -38.49 -56.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 1.033 ' CB ' HD11 ' A' 1028 ' ' LEU . 46.1 m-20 -61.87 -41.93 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.573 HD22 HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -47.94 -50.51 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.28 64.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -56.64 -28.4 60.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -48.83 16.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.462 ' CG1' HD12 ' A' ' 995' ' ' LEU . 3.4 mm -59.32 -53.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.08 -52.07 67.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -47.54 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.851 ' HB2' HG21 ' A' ' 955' ' ' VAL . 3.7 tmm? -60.32 -50.41 73.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -50.97 -28.74 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.83 -51.22 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.73 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -47.49 -37.95 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.48 ' CD ' ' CG2' ' A' ' 952' ' ' VAL . 0.0 OUTLIER -51.11 -37.28 45.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -28.62 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.692 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.5 m-85 -90.23 30.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.521 HG23 ' HG3' ' A' 1014 ' ' GLN . 6.5 p -117.81 -50.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.42 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -42.01 -26.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.682 HG23 ' HB2' ' A' 1013 ' ' LEU . 4.3 t -106.03 170.18 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 17.1 m -56.03 -20.92 18.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.81 HD13 ' HB3' ' A' 1016 ' ' GLU . 0.2 OUTLIER -51.03 -22.31 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.521 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.0 OUTLIER -41.84 -77.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -39.78 -29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.81 ' HB3' HD13 ' A' 1013 ' ' LEU . 2.9 tt0 -67.82 -61.09 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.692 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 0.8 OUTLIER -65.62 -16.04 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 111.029 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.41 ' CE ' ' HG2' ' A' 1014 ' ' GLN . 0.0 OUTLIER -71.66 -40.53 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1019 ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' 1023 ' ' THR . 2.7 mmpt? -70.38 -31.04 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -64.49 -65.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -50.83 -25.48 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 940' ' ' SER . 0.2 OUTLIER -74.62 -53.86 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1023 ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' 1019 ' ' LYS . 5.9 m -38.32 -45.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1024 ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' 1026 ' ' HIS . . . -77.09 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.81 -25.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1026 ' ' HIS . . . . . 0.439 ' N ' ' C ' ' A' 1024 ' ' ALA . 26.4 t60 -76.06 -62.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.22 95.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1028 ' ' LEU . . . . . 1.033 HD11 ' CB ' ' A' ' 994' ' ' ASP . 1.9 mm? -48.76 -65.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.808 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -39.5 -52.11 2.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.89 -43.87 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.475 ' HA ' ' ND2' ' A' 1034 ' ' ASN . 68.9 m-20 -54.84 -47.96 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.529 ' HB3' HG11 ' A' ' 933' ' ' VAL . . . -58.7 -22.47 57.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -47.11 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.503 ' OD1' ' C ' ' A' 1034 ' ' ASN . 9.7 p30 -60.92 -22.42 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.958 ' O ' HG12 ' A' 1038 ' ' VAL . 0.2 OUTLIER -65.62 -62.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' 1035 ' ' LEU . 0.3 OUTLIER -68.95 -39.65 79.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.16 -40.75 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' 1035 ' ' LEU . 1.2 p -72.16 -26.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.914 HG23 ' HG ' ' A' ' 976' ' ' LEU . 11.4 mt -73.35 -52.4 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -52.31 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.785 ' HA ' HD21 ' A' 1044 ' ' LEU . 15.3 mt-30 -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.807 ' HB1' HG22 ' A' ' 980' ' ' THR . . . -72.33 -57.4 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.671 HH22 ' ND2' ' A' ' 922' ' ' ASN . 11.0 ttm180 -38.77 -63.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.785 HD21 ' HA ' ' A' 1041 ' ' GLN . 2.6 pp -47.51 -43.02 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.518 ' N ' HD12 ' A' 1044 ' ' LEU . 8.0 tttp -43.8 -34.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 19.2 ttp -83.7 -49.32 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.0 mp -46.15 -57.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.57 57.75 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -168.3 33.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 7.6 t -164.79 81.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.83 122.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.17 27.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 21.5 t60 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.641 179.967 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 916' ' ' ALA . . . . . 0.544 ' O ' HD12 ' A' ' 918' ' ' LEU . . . -51.11 -49.07 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.71 91.31 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 918' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 916' ' ' ALA . 3.8 mp -85.32 71.45 10.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 919' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 923' ' ' ASP . 10.6 p-10 -103.23 33.21 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -86.14 -78.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.11 -48.05 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -56.27 -19.83 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.4 OUTLIER -74.99 -45.96 38.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 972' ' ' SER . 23.9 t -74.1 -62.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.951 ' CD1' HD21 ' A' 1036 ' ' LEU . 3.7 m-30 -50.26 -21.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 923' ' ' ASP . 1.5 mm-40 -71.42 -67.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 927' ' ' GLU . 0.5 OUTLIER -38.68 -49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 1.016 HG21 HD13 ' A' 1036 ' ' LEU . 29.3 t -50.55 -56.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' GLY . 10.5 p -68.54 -63.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.3 -59.55 0.63 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -55.96 -50.38 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.774 HG22 ' HA ' ' A' 1029 ' ' ALA . 0.9 OUTLIER -55.82 -55.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 933' ' ' VAL . 0.6 OUTLIER -39.95 -38.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -77.52 -51.69 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.9 -40.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.3 mt -84.41 -68.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.37 -47.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.533 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 13.4 ttm -44.95 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.481 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 22.8 m -38.92 -39.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 941' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 938' ' ' GLU . 3.3 t -59.15 -61.81 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.88 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -91.1 28.62 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.862 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.14 -52.87 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.5 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.08 -52.91 11.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.04 -50.48 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.88 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -31.07 124.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.467 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.51 8.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -14.48 21.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.15 -21.27 22.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.443 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.4 OUTLIER -106.08 -6.34 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.862 ' CE1' HD11 ' A' ' 943' ' ' ILE . 13.6 t80 -92.89 -40.74 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.11 -47.35 81.8 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.82 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.461 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -33.11 -54.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.79 HG11 ' HG2' ' A' 1002 ' ' MET . 2.5 t -66.23 -54.24 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.93 -30.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 957' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -72.55 -52.57 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -53.08 -38.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.596 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -62.35 -41.47 99.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.35 87.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.816 HD13 HD22 ' A' ' 995' ' ' LEU . 1.8 mt -54.03 -47.98 70.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.82 -54.09 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 968' ' ' THR . 1.2 m -61.69 -44.66 96.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 969' ' ' VAL . 3.5 tp -43.2 -47.63 6.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.1 mp -56.39 -58.02 9.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.53 -62.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 964' ' ' THR . 72.8 p -49.64 -44.54 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 965' ' ' LEU . 37.6 t -59.29 -37.88 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 3.6 t70 -49.43 -40.13 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 975' ' ' VAL . 4.3 tt0 -72.61 -22.53 60.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.436 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.2 OUTLIER -86.76 -16.02 37.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.585 HD22 ' ND1' ' A' ' 981' ' ' HIS . 0.2 OUTLIER -53.84 -53.02 62.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -75.0 -35.28 3.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 971' ' ' GLU . 55.8 t -48.69 -29.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.818 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.4 OUTLIER -109.44 164.45 14.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 976' ' ' LEU . 18.2 Cg_endo -74.99 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -83.96 45.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.94 2.21 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.86 HG22 ' CB ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -116.08 -29.67 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.358 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.585 ' ND1' HD22 ' A' ' 973' ' ' LEU . 2.4 m-70 -45.29 -31.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -71.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.925 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.0 OUTLIER -50.73 -44.18 58.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 1.076 HG23 HD11 ' A' 1035 ' ' LEU . 13.7 mt -61.45 -36.11 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -46.76 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.6 mtm -74.92 -22.14 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -82.07 -24.86 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -46.98 13.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -37.66 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 990' ' ' LEU . . . . . 0.539 HD22 ' OD1' ' A' 1031 ' ' ASP . 0.7 OUTLIER -62.99 -49.48 74.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.663 HD21 HD23 ' A' ' 962' ' ' LEU . 30.7 tp -56.23 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.594 ' HA ' HD23 ' A' ' 995' ' ' LEU . 51.4 t30 -40.92 -48.71 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.32 -72.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.47 -21.77 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.816 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -68.55 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 996' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -48.92 -54.7 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.79 -37.39 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.755 HD13 HD12 ' A' 1028 ' ' LEU . 10.5 tt -68.05 -45.46 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 955' ' ' VAL . 45.6 mm -55.06 -52.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.09 -37.82 81.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -46.18 84.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.79 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.37 -23.18 62.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.4 OUTLIER -68.67 -40.63 80.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' 1005 ' ' ALA . 27.6 mt -72.12 -54.54 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.686 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -38.34 -48.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.515 ' O ' HG12 ' A' 1009 ' ' VAL . 1.8 tt0 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -29.33 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.765 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 15.6 m-85 -90.37 34.29 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' 1010 ' ' MET . 11.5 p -124.88 -54.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.546 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -56.31 -40.12 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.696 HG23 ' H ' ' A' 1012 ' ' SER . 0.1 OUTLIER -49.53 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.696 ' H ' HG23 ' A' 1011 ' ' THR . 29.6 t 176.43 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.73 HD23 ' N ' ' A' 1013 ' ' LEU . 0.2 OUTLIER -70.59 57.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' 1009 ' ' VAL . 43.7 tt0 -85.35 -73.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -43.21 -33.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -66.45 -58.02 6.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.765 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 3.3 m-85 -68.05 -13.25 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' 1021 ' ' MET . 0.0 OUTLIER -71.49 -46.8 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -37.93 89.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -50.85 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' 1022 ' ' LEU . 6.0 ptm -55.34 -25.38 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -70.37 -45.68 65.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 22.7 m -47.41 -46.63 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.16 55.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.48 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1026 ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.7 OUTLIER -75.23 -54.38 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.74 81.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 998' ' ' LEU . 10.3 mt -53.65 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -40.95 -43.17 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.5 t -70.96 -43.82 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.539 ' OD1' HD22 ' A' ' 990' ' ' LEU . 72.4 m-20 -54.55 -52.39 62.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.74 -26.63 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1033 ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' 1035 ' ' LEU . 29.8 mmtt -73.46 -63.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' 1038 ' ' VAL . 9.2 m-20 -40.85 -29.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1035 ' ' LEU . . . . . 1.076 HD11 HG23 ' A' ' 984' ' ' ILE . 21.2 tp -62.97 -70.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1036 ' ' LEU . . . . . 1.016 HD13 HG21 ' A' ' 929' ' ' VAL . 0.2 OUTLIER -65.92 -41.38 91.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -42.62 -41.84 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.925 HG11 ' HB3' ' A' ' 983' ' ' GLU . 74.7 t -71.77 -39.25 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.627 ' CG1' HD11 ' A' ' 984' ' ' ILE . 7.6 mt -53.77 -59.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.65 -44.62 27.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.74 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.9 OUTLIER -69.59 -25.83 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.86 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -79.28 -47.86 15.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -45.78 -54.35 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.74 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.0 pp -55.75 -44.91 78.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.51 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -42.87 -32.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 10.5 ttp -85.58 -48.24 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.43 -70.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 5.1 t -73.46 70.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.33 29.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -59.3 4.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.28 122.58 79.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.484 0.183 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 916' ' ' ALA . . . . . 0.617 ' HB2' HG12 ' A' 1047 ' ' ILE . . . -79.76 152.71 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.91 137.55 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 918' ' ' LEU . . . . . 0.507 HD21 ' NH2' ' A' 1043 ' ' ARG . 4.9 mp -123.71 99.28 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -167.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.27 17.52 5.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 10.0 p30 -70.58 -8.14 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.8 t70 -76.39 -35.25 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -44.35 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 929' ' ' VAL . 31.0 t -58.66 -49.52 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 1.185 ' CD1' HD11 ' A' 1036 ' ' LEU . 7.2 m-30 -65.46 -29.55 70.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -69.88 -52.21 26.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.545 ' OD1' HG21 ' A' ' 968' ' ' THR . 10.9 m120 -55.73 -50.54 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.987 HG22 HD21 ' A' ' 965' ' ' LEU . 84.7 t -50.79 -55.72 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.9 p -60.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -36.25 -53.57 1.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.1 OUTLIER -58.69 -52.08 67.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.2 t -57.03 -56.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 933' ' ' VAL . 0.2 OUTLIER -40.13 -37.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -75.59 -50.09 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.57 -42.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 938' ' ' GLU . 4.1 mt -84.63 -67.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -34.73 -53.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -46.17 -61.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.557 ' HB3' HD23 ' A' 1022 ' ' LEU . 57.8 m -41.85 -37.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 6.4 t -64.78 -55.35 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.881 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.12 24.07 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.36 -54.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.4 tt0 -45.94 -49.92 37.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.881 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.07 135.12 0.66 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 177.57 8.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.55 -28.62 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.557 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -92.85 -8.2 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.609 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -83.42 -49.08 9.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.34 -47.5 57.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.55 ' HE3' HG12 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -28.92 -60.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.746 ' CG1' HD13 ' A' ' 999' ' ' ILE . 6.8 t -60.93 -52.12 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -44.37 -32.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -51.37 59.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -51.29 -36.37 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.15 96.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -38.76 88.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.88 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.922 HD13 ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.18 -34.69 78.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -57.53 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 964' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 968' ' ' THR . 3.4 m -53.61 -29.37 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.987 HD21 HG22 ' A' ' 929' ' ' VAL . 0.0 OUTLIER -58.06 -53.24 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.9 mp -48.81 -49.84 37.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.74 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 964' ' ' THR . 69.9 p -51.79 -37.53 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 965' ' ' LEU . 82.8 t -62.33 -43.35 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.1 t70 -49.12 -38.35 24.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 975' ' ' VAL . 6.4 mt-10 -76.82 -24.28 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.663 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.08 -27.69 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.51 -52.2 10.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.05 -34.02 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 971' ' ' GLU . 21.6 t -46.64 -32.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.856 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.7 OUTLIER -109.81 154.84 42.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 -175.73 2.52 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -54.63 176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.88 29.79 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.649 ' CG2' ' HB1' ' A' 1042 ' ' ALA . 1.0 OUTLIER -117.31 -59.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 985' ' ' GLU . 4.1 p-80 -44.34 -52.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.53 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.716 ' CB ' HG11 ' A' 1038 ' ' VAL . 13.0 mt-10 -54.76 -45.07 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 980' ' ' THR . 8.6 mt -56.64 -30.66 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -65.94 -44.39 85.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.0 mtm -66.86 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.39 -33.22 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.11 -46.7 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -55.32 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 991' ' ' LEU . 0.0 OUTLIER -50.17 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -41.35 -56.79 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 1.026 ' CB ' HD11 ' A' 1028 ' ' LEU . 43.3 m-20 -47.23 -47.56 24.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.922 ' HG ' HD13 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -48.8 -62.39 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 996' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -37.57 -52.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.2 OUTLIER -59.02 -40.81 86.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.746 HD13 ' CG1' ' A' ' 955' ' ' VAL . 6.0 mm -64.89 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -42.43 -36.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -54.33 47.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.641 ' HB3' HG21 ' A' ' 955' ' ' VAL . 0.8 OUTLIER -57.42 -20.06 27.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.6 mtpt -77.38 -29.41 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 23.5 mt -89.48 -50.73 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -47.21 -34.33 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -35.51 70.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.8 -27.8 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.733 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 9.5 m-85 -87.83 26.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.664 HG23 ' HG3' ' A' 1014 ' ' GLN . 4.1 p -113.48 -48.83 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -40.93 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.2 OUTLIER -50.51 -62.08 1.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.6 OUTLIER 161.02 -26.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.657 HD23 ' N ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -78.37 53.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.664 ' HG3' HG23 ' A' 1009 ' ' VAL . 18.7 tt0 -84.46 -75.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -25.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.47 -58.2 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.733 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 4.2 m-85 -65.14 -25.4 67.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.425 ' HG3' HG23 ' A' ' 943' ' ' ILE . 11.5 mptt -67.54 -34.02 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -32.77 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -56.38 -68.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 5.2 ppp? -52.36 -31.19 32.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.699 HD13 ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -61.21 -58.81 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.0 m -39.92 -48.14 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.58 76.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.59 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -59.86 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1028 ' ' LEU . . . . . 1.026 HD11 ' CB ' ' A' ' 994' ' ' ASP . 0.4 OUTLIER -59.16 -61.38 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.69 -43.78 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -73.06 -48.49 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 18.7 t0 -43.47 -48.72 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.83 85.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.85 -38.13 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.62 -36.71 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.06 -61.84 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1036 ' ' LEU . . . . . 1.185 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.32 -39.88 94.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -45.85 -44.08 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.716 HG11 ' CB ' ' A' ' 983' ' ' GLU . 46.9 t -68.3 -31.49 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.856 HG23 ' HG ' ' A' ' 976' ' ' LEU . 13.1 mt -70.91 -40.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -45.89 70.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.561 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.1 pt20 -71.35 -22.82 61.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.649 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -75.18 -47.19 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.507 ' NH2' HD21 ' A' ' 918' ' ' LEU . 0.0 OUTLIER -53.61 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.99 -36.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 5.1 ttp -80.91 -51.88 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.617 HG12 ' HB2' ' A' ' 916' ' ' ALA . 2.4 mt -53.41 -40.25 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 5.9 t -103.12 107.09 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.87 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.17 66.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -109.02 133.94 20.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1053 ' ' HIS . . . . . 0.429 ' O ' ' CG ' ' A' 1053 ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.463 0.173 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -77.38 156.86 30.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -87.03 126.26 34.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.89 90.8 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -96.86 25.25 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -72.71 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 925' ' ' VAL . 70.3 m -88.0 20.36 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -73.94 -45.31 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 923' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.9 OUTLIER -75.67 -21.16 57.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -61.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 968' ' ' THR . 43.8 t -55.06 -37.47 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 1.043 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -74.87 -21.94 58.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -81.6 -61.08 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -36.24 9.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 925' ' ' VAL . 54.8 t -66.43 -63.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -63.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -47.69 -28.14 5.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.47 -59.16 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.793 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 1029 ' ' ALA . 31.9 m -65.45 -39.09 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -60.08 -30.11 69.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -90.35 -51.43 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 936' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 935' ' ' ALA . 1.2 t -38.23 -37.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 938' ' ' GLU . 19.2 mt -84.33 -64.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.528 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -28.57 -48.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.484 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.1 ttp -42.39 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.527 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.7 m -37.87 -37.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -51.55 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.775 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.11 28.88 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.88 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.77 -50.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.39 -52.9 12.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.81 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 951' ' ' TYR . 18.5 Cg_endo -74.97 176.33 10.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.438 ' HG3' HG21 ' A' 1009 ' ' VAL . 18.2 Cg_endo -75.02 -17.54 19.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.37 -16.79 36.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.88 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.3 t80 -93.17 -40.67 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.687 HG23 ' CD ' ' A' 1006 ' ' GLN . 1.0 OUTLIER -51.44 -47.42 89.05 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.472 ' CE ' HG12 ' A' ' 943' ' ' ILE . 0.4 OUTLIER -32.77 -53.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.53 ' CG1' HD13 ' A' ' 999' ' ' ILE . 93.9 t -68.04 -49.95 63.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 1.5 mmmp? -43.99 -36.23 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 957' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 960' ' ' LEU . 8.4 tt0 -65.47 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 961' ' ' ALA . 48.7 t -43.09 -46.99 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -54.68 -39.89 68.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 960' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.3 OUTLIER -62.45 -35.69 80.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 961' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 958' ' ' VAL . . . -56.25 -46.02 79.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 966' ' ' LEU . 3.4 mm? -54.64 -54.9 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.24 -55.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 27.6 m -64.61 -45.73 85.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.963 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.1 OUTLIER -50.38 -48.99 55.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -48.12 -59.73 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -54.06 -50.24 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.877 HG23 HG22 ' A' ' 925' ' ' VAL . 0.4 OUTLIER -54.85 -36.88 65.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 965' ' ' LEU . 78.1 t -64.02 -43.18 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.418 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.4 t0 -49.96 -35.38 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.6 tt0 -77.5 -23.77 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.528 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.63 -29.49 24.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.17 -51.5 7.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -74.98 -35.06 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 971' ' ' GLU . 16.3 t -47.09 -27.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.799 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.5 mm? -109.3 146.16 33.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.1 Cg_endo -75.05 159.45 41.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -57.72 118.56 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 p 158.82 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.961 ' OG1' HG12 ' A' 1038 ' ' VAL . 10.0 t -116.88 34.88 4.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 982' ' ' ARG . 30.7 m170 -80.76 -78.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 985' ' ' GLU . 6.3 tpt180 -38.24 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.944 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.1 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.74 HD11 ' CG1' ' A' 1039 ' ' ILE . 25.9 mt -60.71 -39.47 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -64.55 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.9 mtp -78.63 -27.87 45.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -76.54 -17.84 59.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 988' ' ' GLN . . . . . 0.49 ' HG2' HD11 ' A' 1035 ' ' LEU . 2.0 mm100 -82.16 -45.91 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -36.96 84.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -40.26 96.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 962' ' ' LEU . 16.0 tp -58.1 -55.16 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.04 -58.14 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 7.9 t -43.67 -59.38 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.777 ' CB ' HD11 ' A' 1028 ' ' LEU . 35.3 m-20 -56.89 -47.19 81.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.2 OUTLIER -49.91 -57.26 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -43.2 -51.25 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -58.05 -34.48 70.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.579 HD11 ' SD ' ' A' 1021 ' ' MET . 0.2 OUTLIER -74.65 -48.07 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.53 HD13 ' CG1' ' A' ' 955' ' ' VAL . 51.2 mm -53.88 -46.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 1003 ' ' LYS . 22.4 t30 -63.09 -49.57 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.553 ' HA ' HD21 ' A' 1004 ' ' LEU . 7.7 mmtm -40.99 -35.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.599 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 1.7 ttp -80.05 -40.72 27.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' 1000 ' ' ASN . 2.7 mtpt -52.55 -50.24 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1004 ' ' LEU . . . . . 0.553 HD21 ' HA ' ' A' 1001 ' ' LYS . 0.5 OUTLIER -66.33 -52.53 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -54.64 -18.52 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.687 ' CD ' HG23 ' A' ' 952' ' ' VAL . 3.3 tp-100 -76.08 -30.35 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.86 -31.08 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.75 ' CE2' ' CZ ' ' A' 1017 ' ' TYR . 2.3 m-85 -71.67 -28.22 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.481 HG13 ' H ' ' A' 1010 ' ' MET . 2.0 p -40.65 -55.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' 1010 ' ' MET . 3.4 ttp -67.47 57.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' 1012 ' ' SER . 31.5 m -160.02 -36.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.9 t 98.96 -5.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.54 ' HG ' ' CG2' ' A' 1011 ' ' THR . 0.3 OUTLIER -83.11 -9.31 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -46.59 -53.07 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -35.64 -42.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -67.09 -59.02 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.75 ' CZ ' ' CE2' ' A' 1008 ' ' TYR . 24.5 m-85 -59.67 -22.26 61.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.8 OUTLIER -69.39 -41.02 77.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -63.11 -33.73 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -62.95 -44.86 94.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1021 ' ' MET . . . . . 0.579 ' SD ' HD11 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -55.92 -42.32 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.503 HD13 ' C ' ' A' 1022 ' ' LEU . 3.3 tm? -61.19 -56.55 19.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1023 ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' 1022 ' ' LEU . 1.8 m -37.62 -49.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.22 64.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.29 -25.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -71.51 -62.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.34 75.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.777 HD11 ' CB ' ' A' ' 994' ' ' ASP . 1.0 OUTLIER -61.07 -64.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.546 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -40.11 -36.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.3 t -78.8 -46.77 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' 1028 ' ' LEU . 7.9 m-20 -43.79 -51.78 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.61 98.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -48.33 64.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.545 ' O ' HG23 ' A' 1038 ' ' VAL . 3.8 m-20 -50.69 -46.0 58.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1035 ' ' LEU . . . . . 0.49 HD11 ' HG2' ' A' ' 988' ' ' GLN . 4.0 tt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1036 ' ' LEU . . . . . 1.043 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.09 -43.99 63.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.2 -44.52 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.961 HG12 ' OG1' ' A' ' 980' ' ' THR . 83.9 t -67.23 -42.67 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.799 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.6 mt -53.74 -53.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -42.38 42.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.759 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.3 mt-30 -61.41 -22.02 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.657 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -79.99 -55.46 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -46.48 -59.87 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -50.36 -46.84 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.637 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -51.21 -26.45 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.475 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 0.8 OUTLIER -95.84 -37.99 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.87 -57.19 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 7.4 t -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.2 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 33.0 m 41.6 59.6 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -92.3 114.56 62.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.46 35.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 20.8 t60 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.953 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.496 0.188 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.34 62.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -88.14 155.57 19.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 8.9 mp -116.81 32.08 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 919' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 921' ' ' SER . 0.4 OUTLIER -54.52 166.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 920' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 921' ' ' SER . 19.3 tpp180 -38.58 95.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 920' ' ' ARG . 0.5 OUTLIER -29.26 109.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 922' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 922' ' ' ASN . 0.8 OUTLIER -55.92 -18.27 8.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -74.21 -40.04 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -43.89 93.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 925' ' ' VAL . . . . . 0.842 HG11 ' OG ' ' A' ' 972' ' ' SER . 52.2 t -69.28 -45.11 79.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 926' ' ' TYR . . . . . 0.914 ' CD1' HD11 ' A' 1036 ' ' LEU . 1.8 m-85 -64.32 -23.45 67.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 927' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 931' ' ' GLY . 3.2 mm-40 -69.9 -68.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 928' ' ' ASN . . . . . 0.545 ' OD1' HG21 ' A' ' 968' ' ' THR . 22.2 m120 -47.2 -23.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 925' ' ' VAL . 13.6 t -75.45 -66.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 930' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 926' ' ' TYR . 2.8 t -62.91 -48.64 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 931' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -50.43 -41.04 40.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 932' ' ' LEU . . . . . 0.883 HD23 HG13 ' A' ' 933' ' ' VAL . 0.0 OUTLIER -58.75 -65.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 0.733 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 933' ' ' VAL . . . . . 0.883 HG13 HD23 ' A' ' 932' ' ' LEU . 19.9 m -52.97 -39.23 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 934' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -49.78 -32.26 13.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -87.35 -44.25 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 936' ' ' VAL . . . . . . . . . . . . . 42.3 t -41.63 -47.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 937' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 938' ' ' GLU . 18.4 mt -73.01 -64.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.18 -45.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 939' ' ' MET . . . . . 0.481 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -45.21 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.616 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.5 p -40.88 -34.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 941' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 1.1 t -57.32 -53.46 57.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.836 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -108.62 32.57 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 943' ' ' ILE . . . . . 0.909 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.24 -51.98 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -42.28 -53.17 9.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.836 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.15 126.87 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 947' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -13.5 21.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.18 -23.8 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 950' ' ' GLU . . . . . 0.427 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -104.35 -7.21 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 951' ' ' TYR . . . . . 0.909 ' CE1' HD11 ' A' ' 943' ' ' ILE . 34.0 t80 -93.18 -38.2 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 952' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -51.14 -48.17 85.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 953' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -35.06 -68.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 955' ' ' VAL . . . . . 0.748 HG21 ' HG3' ' A' 1002 ' ' MET . 63.3 t -53.05 -54.46 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 955' ' ' VAL . 2.9 mtpt -39.52 -33.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 957' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.7 OUTLIER -67.33 -58.03 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 958' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -44.56 -46.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 959' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -55.4 -39.8 74.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.26 99.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.96 90.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 962' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 995' ' ' LEU . 4.0 mt -58.69 -52.8 64.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -55.74 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 12.4 m -57.66 -44.17 85.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 1.026 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.2 tt -48.48 -51.59 26.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.534 HD23 HD23 ' A' ' 965' ' ' LEU . 50.6 mt -46.14 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.34 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 968' ' ' THR . . . . . 0.545 HG21 ' OD1' ' A' ' 928' ' ' ASN . 90.6 m -50.73 -47.68 59.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 965' ' ' LEU . 23.1 t -58.77 -37.76 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 970' ' ' ASP . . . . . 0.413 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.2 t70 -48.9 -42.82 38.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 971' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 975' ' ' VAL . 53.1 mt-10 -69.43 -23.06 63.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 972' ' ' SER . . . . . 0.842 ' OG ' HG11 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -84.29 -30.0 25.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 973' ' ' LEU . . . . . 0.493 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -38.32 -52.49 3.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 974' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.01 -36.16 2.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 975' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 971' ' ' GLU . 47.4 t -48.16 -32.18 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.746 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.5 mm? -110.69 160.03 30.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.4 Cg_endo -74.98 149.75 37.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 978' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -49.67 -23.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 87.8 p -43.13 -29.81 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.941 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 980' ' ' THR . . . . . 0.77 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 5.2 t -116.57 45.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 981' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -80.83 -83.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.563 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 982' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 985' ' ' GLU . 25.5 tpp180 -40.01 -63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 983' ' ' GLU . . . . . 0.655 ' HB3' HG11 ' A' 1038 ' ' VAL . 38.0 mt-10 -39.12 -51.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.831 HD11 ' CG1' ' A' 1039 ' ' ILE . 9.1 mt -63.25 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 985' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -63.0 -33.36 75.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 986' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 982' ' ' ARG . 11.7 mtp -81.48 -23.93 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.8 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.35 -50.63 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -43.42 86.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 990' ' ' LEU . . . . . 0.675 HD22 ' OD2' ' A' 1031 ' ' ASP . 1.0 OUTLIER -59.02 -53.36 59.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 991' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 995' ' ' LEU . 14.8 tp -48.83 -54.3 15.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 992' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t30 -55.5 -65.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.78 -56.24 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 994' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.6 OUTLIER -62.04 -34.92 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 995' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 995' ' ' LEU . 0.1 OUTLIER -58.14 -60.23 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.6 26.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -33.53 60.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.657 HD23 ' N ' ' A' ' 999' ' ' ILE . 0.5 OUTLIER -74.33 -48.52 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 999' ' ' ILE . . . . . 0.657 ' N ' HD23 ' A' ' 998' ' ' LEU . 17.1 mm -55.79 -41.95 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1000 ' ' ASN . . . . . 0.409 ' C ' ' N ' ' A' 1002 ' ' MET . 4.5 t-20 -65.74 -56.31 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.2 OUTLIER -39.86 -31.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1002 ' ' MET . . . . . 0.748 ' HG3' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -80.11 -52.22 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.404 ' HA ' ' HE1' ' A' 1002 ' ' MET . 6.0 mtmt -49.41 -23.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.3 mt -88.46 -42.16 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1005 ' ' ALA . . . . . 0.743 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -50.81 -22.22 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1006 ' ' GLN . . . . . 0.503 ' O ' HG12 ' A' 1009 ' ' VAL . 6.1 tp60 -73.23 -36.99 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.88 -38.29 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1008 ' ' TYR . . . . . 0.816 ' HD1' HD23 ' A' 1013 ' ' LEU . 70.2 m-85 -85.78 45.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1009 ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' 1010 ' ' MET . 3.4 p -135.31 -45.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1010 ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -28.32 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1011 ' ' THR . . . . . 0.782 HG23 ' H ' ' A' 1012 ' ' SER . 0.0 OUTLIER -45.87 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1012 ' ' SER . . . . . 0.782 ' H ' HG23 ' A' 1011 ' ' THR . 3.0 p 168.84 32.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.816 HD23 ' HD1' ' A' 1008 ' ' TYR . 5.2 tp -84.39 -12.23 54.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' 1016 ' ' GLU . 4.7 tt0 -36.73 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1015 ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' 1014 ' ' GLN . 13.3 pt20 -33.56 -36.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.509 ' OE1' HD11 ' A' 1013 ' ' LEU . 5.3 tt0 -66.93 -67.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1017 ' ' TYR . . . . . 0.754 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 2.3 m-85 -62.77 -29.72 70.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.4 ' NZ ' HG21 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -50.6 -51.02 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.39 97.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -51.97 -51.77 54.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -46.2 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' 1026 ' ' HIS . 0.1 OUTLIER -54.6 -40.93 69.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.7 m -51.96 -44.64 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.73 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.75 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1026 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 1022 ' ' LEU . 33.8 t60 -74.88 -54.98 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.46 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1028 ' ' LEU . . . . . 0.513 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -59.62 -62.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1029 ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -43.07 -44.95 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.9 t -69.3 -46.29 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1031 ' ' ASP . . . . . 0.675 ' OD2' HD22 ' A' ' 990' ' ' LEU . 2.0 t70 -45.99 -56.45 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1032 ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -53.93 -36.91 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.55 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1034 ' ' ASN . . . . . 0.739 ' O ' HG23 ' A' 1038 ' ' VAL . 28.1 t30 -42.55 -39.29 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.98 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1036 ' ' LEU . . . . . 0.914 HD11 ' CD1' ' A' ' 926' ' ' TYR . 10.0 tt -61.27 -38.38 86.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.81 -47.66 8.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1038 ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' 1034 ' ' ASN . 12.5 t -64.45 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1039 ' ' ILE . . . . . 0.831 ' CG1' HD11 ' A' ' 984' ' ' ILE . 2.1 mt -59.8 -54.09 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.04 -44.86 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1041 ' ' GLN . . . . . 0.756 ' HA ' HD21 ' A' 1044 ' ' LEU . 4.9 mt-30 -64.46 -20.4 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1042 ' ' ALA . . . . . 0.77 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -83.89 -57.69 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1043 ' ' ARG . . . . . 0.594 ' O ' HD12 ' A' 1047 ' ' ILE . 1.4 ttp180 -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.6 pp -68.09 -49.92 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1045 ' ' LYS . . . . . 0.634 ' N ' HD12 ' A' 1044 ' ' LEU . 15.8 mttm -39.89 -31.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 15.3 ttp -83.88 -52.83 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1047 ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' 1043 ' ' ARG . 2.8 mt -51.97 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 74.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.12 33.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 5.7 t 55.55 89.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -111.3 98.63 40.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 7.0 t-160 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.618 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 16.1 t70 -75.49 -43.0 51.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -60.37 -41.75 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.946 HG22 HG22 ' A' ' 968' ' ' THR . 12.2 t -72.24 -51.22 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 1.009 ' CD1' HD11 ' A' 1036 ' ' LEU . 8.5 m-30 -65.39 -15.36 62.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 2.7 mm-40 -77.26 -68.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.447 ' HB3' HD23 ' A' ' 965' ' ' LEU . 1.0 OUTLIER -40.01 -54.3 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.538 HG13 ' HB1' ' A' 1032 ' ' ALA . 73.9 t -46.59 -62.27 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 934' ' ' LYS . 7.6 p -60.75 -65.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.25 -59.02 0.65 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -56.79 -47.19 80.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.4 t -59.89 -62.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.509 ' N ' HG12 ' A' ' 933' ' ' VAL . 1.9 mttt -39.98 -31.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 939' ' ' MET . . . -82.47 -49.56 9.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.518 HG23 HD12 ' A' ' 932' ' ' LEU . 2.9 t -37.98 -38.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 933' ' ' VAL . 4.6 mp -84.14 -65.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -52.97 4.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 3.4 ppp? -50.41 -31.8 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 937' ' ' ILE . 13.1 m -66.29 -39.07 89.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 45.9 t -67.26 -50.67 59.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.829 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -83.13 7.45 15.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.1 OUTLIER -76.99 -61.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.623 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.1 OUTLIER -35.72 -53.6 1.39 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.4 Cg_endo -74.92 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -30.46 122.23 0.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 178.34 7.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.06 -12.23 21.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -92.43 -28.06 17.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.45 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -100.58 -11.77 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.676 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 9.1 t80 -89.8 -41.67 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.815 HG23 ' HG3' ' A' 1006 ' ' GLN . 0.9 OUTLIER -43.52 -49.76 17.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.0 Cg_endo -75.08 -46.31 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 953' ' ' PRO . 5.9 ttp -34.34 -61.66 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.552 ' CG1' HD13 ' A' ' 999' ' ' ILE . 3.2 t -64.38 -42.73 96.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -51.56 -36.47 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -53.99 40.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 995' ' ' LEU . 75.7 t -50.68 -40.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.592 ' HA2' HD12 ' A' ' 995' ' ' LEU . . . -70.75 -37.78 66.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 960' ' ' LEU . 0.1 OUTLIER -63.82 -41.84 97.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.39 78.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.572 HD11 ' HG ' ' A' ' 991' ' ' LEU . 0.6 OUTLIER -52.95 -54.02 41.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -59.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.894 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.5 OUTLIER -54.07 -48.97 70.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 9.8 mp -48.99 -56.07 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.6 79.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.946 HG22 HG22 ' A' ' 925' ' ' VAL . 23.0 m -56.98 -41.55 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 965' ' ' LEU . 21.9 t -57.51 -47.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -48.13 -41.45 26.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 975' ' ' VAL . 15.7 tt0 -74.54 -24.03 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.572 ' OG ' HG21 ' A' ' 925' ' ' VAL . 0.1 OUTLIER -84.06 -30.07 26.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.546 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.1 OUTLIER -39.46 -52.9 4.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.91 -34.55 3.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.6 t -47.59 -27.1 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.83 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.6 mm? -108.72 157.65 36.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -74.98 148.44 35.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -56.03 118.44 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.4 t 156.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.686 HG21 ' CB ' ' A' 1042 ' ' ALA . 6.6 t -116.05 37.62 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.472 ' NE2' ' N ' ' A' ' 979' ' ' SER . 0.0 OUTLIER -82.36 -77.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -38.99 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -40.03 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.79 HD11 ' CG1' ' A' 1039 ' ' ILE . 6.7 mt -54.04 -51.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.69 -45.84 81.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 26.8 mtp -66.17 -27.77 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.894 ' HB1' HD22 ' A' 1035 ' ' LEU . . . -71.44 -41.19 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -53.05 -51.42 61.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.94 70.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -54.91 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.572 ' HG ' HD11 ' A' ' 962' ' ' LEU . 2.1 tp -56.17 -57.36 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -49.5 17.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -70.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.684 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.8 OUTLIER -48.38 -42.34 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.592 HD12 ' HA2' ' A' ' 959' ' ' GLY . 0.5 OUTLIER -54.7 -62.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.75 -51.49 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.759 HD13 HD11 ' A' 1028 ' ' LEU . 6.2 tt -75.45 -42.84 52.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.552 HD13 ' CG1' ' A' ' 955' ' ' VAL . 6.0 mm -58.92 -48.55 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -57.73 -51.6 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -43.02 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 4.2 ttp -66.64 -59.92 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.14 -31.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1007 ' ' GLN . 10.7 mt -83.07 -57.62 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.676 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -44.66 -38.76 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.815 ' HG3' HG23 ' A' ' 952' ' ' VAL . 0.8 OUTLIER -53.88 -36.51 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' 1004 ' ' LEU . 13.3 tt0 -98.66 -29.55 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.629 ' HD1' HD11 ' A' 1013 ' ' LEU . 33.9 m-85 -88.89 32.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.907 HG23 ' HG3' ' A' 1014 ' ' GLN . 6.7 p -120.94 -47.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.956 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -61.52 -18.24 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.956 HG23 ' CE ' ' A' 1010 ' ' MET . 0.0 OUTLIER -70.56 -78.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.98 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.943 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' 1013 ' ' LEU . 3.7 pp -80.03 52.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.907 ' HG3' HG23 ' A' 1009 ' ' VAL . 1.1 tt0 -79.36 -67.51 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -29.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -63.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -64.34 -38.55 91.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.14 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -49.21 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -43.69 -50.96 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -48.03 61.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -50.04 -47.85 53.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.9 m -45.36 -55.04 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.03 86.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -49.28 -34.35 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.52 -58.19 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.29 77.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.759 HD11 HD13 ' A' ' 998' ' ' LEU . 6.8 mt -55.22 -66.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.54 -43.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.4 t -68.3 -51.36 48.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -46.54 -51.85 14.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.538 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -60.32 -34.7 74.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -68.15 -57.37 6.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.84 -23.63 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.894 HD22 ' HB1' ' A' ' 987' ' ' ALA . 0.4 OUTLIER -64.95 -67.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 1.009 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.9 -41.26 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' 1036 ' ' LEU . 51.8 t0 -37.83 -52.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' 1039 ' ' ILE . 0.3 OUTLIER -62.09 -48.83 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.83 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.0 mt -54.21 -45.38 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -36.66 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.683 ' HA ' HD21 ' A' 1044 ' ' LEU . 1.3 mt-30 -70.17 -23.61 63.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.686 ' CB ' HG21 ' A' ' 980' ' ' THR . . . -82.69 -56.96 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.3 ttt-85 -38.91 -47.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' 1045 ' ' LYS . 4.5 pp -63.19 -47.67 81.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.792 ' N ' HD12 ' A' 1044 ' ' LEU . 28.5 tttp -41.18 -28.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 29.1 ttp -88.1 -49.28 7.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.498 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.8 OUTLIER -75.51 -31.48 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.02 -49.14 66.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.981 HG22 HG22 ' A' ' 968' ' ' THR . 15.4 t -62.71 -40.47 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.666 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.3 m-85 -73.93 -25.26 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 4.2 mm-40 -67.99 -67.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -44.33 -56.05 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 925' ' ' VAL . 53.7 t -40.47 -59.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.5 p -67.0 -64.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.46 -45.17 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -73.16 -51.41 17.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.734 ' O ' HD12 ' A' ' 937' ' ' ILE . 0.9 OUTLIER -52.5 -50.91 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -43.71 65.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.16 -49.32 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.61 HG23 HD12 ' A' ' 932' ' ' LEU . 3.6 t -38.82 -42.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 933' ' ' VAL . 4.4 mp -84.06 -64.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -38.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 942' ' ' LYS . 5.8 ttm -52.41 -68.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.53 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.2 m -41.68 -30.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.7 t -67.33 -45.63 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.67 22.45 15.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.793 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.18 -52.57 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.518 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.7 OUTLIER -39.88 -54.19 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -75.0 -53.8 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -32.47 128.33 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.462 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 177.25 8.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.5 Cg_endo -75.0 -19.2 18.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -16.46 40.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.457 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -110.83 -3.78 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.793 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 3.1 t80 -93.15 -35.99 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' 1006 ' ' GLN . 0.9 OUTLIER -53.17 -47.22 96.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.04 -50.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -34.08 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 999' ' ' ILE . 13.7 t -53.74 -53.76 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 955' ' ' VAL . 1.7 mmtt -38.89 -32.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.91 -58.33 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.08 -42.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.68 -43.22 94.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -45.41 93.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.37 8.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 1.045 HD13 HD22 ' A' ' 995' ' ' LEU . 2.1 mt -49.77 -50.24 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -59.69 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 5.9 m -61.65 -39.02 89.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 969' ' ' VAL . 4.4 tt -60.84 -36.33 78.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -54.26 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.87 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.981 HG22 HG22 ' A' ' 925' ' ' VAL . 31.5 m -52.65 -44.37 66.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 965' ' ' LEU . 6.3 t -54.9 -45.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -48.25 -44.21 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.496 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 7.5 mt-10 -72.9 -22.09 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.588 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.3 OUTLIER -85.51 -27.64 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.69 -51.47 9.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.0 -36.89 2.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.532 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 7.3 t -47.02 -32.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.81 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -110.14 144.65 30.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -58.96 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.2 OUTLIER 85.51 -44.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.714 ' OG1' HG22 ' A' 1038 ' ' VAL . 11.7 t -111.65 40.88 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -83.97 -84.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 985' ' ' GLU . 0.0 OUTLIER -55.98 -54.38 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.606 ' HB3' HG21 ' A' 1038 ' ' VAL . 0.4 OUTLIER -40.62 -43.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 1.082 HD11 ' CG1' ' A' 1039 ' ' ILE . 0.3 OUTLIER -65.78 -45.05 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.6 OUTLIER -60.29 -36.67 78.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -36.16 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -65.7 -21.23 66.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.654 ' CD ' HG21 ' A' ' 969' ' ' VAL . 3.5 mm-40 -79.41 -45.76 18.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -39.19 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . 0.57 HD22 ' OD2' ' A' 1031 ' ' ASP . 0.7 OUTLIER -61.17 -47.12 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.751 HD21 HD23 ' A' ' 962' ' ' LEU . 39.2 tp -54.42 -53.19 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t-20 -56.78 -61.76 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.87 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.53 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.93 -30.12 70.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 1.045 HD22 HD13 ' A' ' 962' ' ' LEU . 0.4 OUTLIER -67.71 -58.13 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -45.59 -47.57 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -54.79 -36.32 64.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.531 ' C ' HD23 ' A' ' 998' ' ' LEU . 7.0 tt -71.69 -46.64 58.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.508 HD13 ' CG1' ' A' ' 955' ' ' VAL . 3.5 mm -51.11 -48.79 30.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 41.7 t30 -57.01 -54.99 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -42.54 -36.51 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -79.29 -45.53 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -28.11 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.48 -50.49 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.595 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -50.55 -27.64 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.639 ' HG3' HG23 ' A' ' 952' ' ' VAL . 20.9 tm0? -62.35 -34.09 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.9 -26.22 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.712 ' HD1' HD11 ' A' 1013 ' ' LEU . 21.6 m-85 -88.67 23.87 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.609 HG23 ' HG3' ' A' 1014 ' ' GLN . 3.1 p -109.88 -45.72 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.505 ' CE ' ' OG1' ' A' 1011 ' ' THR . 0.0 OUTLIER -68.66 -13.22 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.529 HG22 ' N ' ' A' 1012 ' ' SER . 1.2 m -73.05 -83.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.529 ' N ' HG22 ' A' 1011 ' ' THR . 0.2 OUTLIER -178.32 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.712 HD11 ' HD1' ' A' 1008 ' ' TYR . 1.9 pp -79.41 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.609 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.8 OUTLIER -77.72 -60.18 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.401 ' N ' ' OE1' ' A' 1014 ' ' GLN . 2.0 pt20 -47.9 -24.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -70.42 -61.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.564 ' HD1' HD12 ' A' 1013 ' ' LEU . 3.0 m-85 -63.23 -14.44 49.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.405 ' HE2' ' CA ' ' A' 1018 ' ' LYS . 0.0 OUTLIER -75.96 -45.18 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -13.99 61.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -73.3 -66.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' 1022 ' ' LEU . 5.4 ppp? -52.55 -33.43 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.759 HD13 ' C ' ' A' 1022 ' ' LEU . 1.6 tm? -58.37 -56.37 22.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -43.33 -48.47 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.53 -27.37 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -56.96 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.63 -35.05 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.53 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -61.13 -63.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.641 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -41.58 -40.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.7 t -73.25 -49.88 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.57 ' OD2' HD22 ' A' ' 990' ' ' LEU . 5.4 t0 -40.23 -54.34 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.35 80.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 7.1 tptt -55.78 -40.34 72.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -56.94 -45.54 82.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.552 ' O ' HG12 ' A' 1038 ' ' VAL . 5.8 tt -46.22 -54.71 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -70.82 -42.0 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -41.02 -59.56 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.714 HG22 ' OG1' ' A' ' 980' ' ' THR . 5.9 p -55.31 -40.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 1.082 ' CG1' HD11 ' A' ' 984' ' ' ILE . 10.7 mt -61.46 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -40.17 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.686 ' HA ' HD21 ' A' 1044 ' ' LEU . 33.1 mt-30 -70.1 -22.74 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.609 ' HB2' ' CG2' ' A' ' 980' ' ' THR . . . -84.74 -41.22 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.591 ' O ' HD12 ' A' 1047 ' ' ILE . 0.2 OUTLIER -52.43 -44.83 65.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -66.05 -46.95 75.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.494 ' N ' HD12 ' A' 1044 ' ' LEU . 14.2 mttm -40.92 -29.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' 1044 ' ' LEU . 13.1 ttp -87.86 -55.8 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' 1043 ' ' ARG . 2.4 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 25.8 p-10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.02 -45.59 26.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -59.37 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.893 ' O ' HG23 ' A' ' 929' ' ' VAL . 91.6 t -44.06 -52.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 1.052 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -61.65 -37.91 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.68 -54.83 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -50.05 -38.34 37.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 925' ' ' VAL . 83.9 t -66.32 -62.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.1 p -44.97 -63.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.41 -28.13 13.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 936' ' ' VAL . 0.2 OUTLIER -73.6 -61.93 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' 1029 ' ' ALA . 15.8 m -60.23 -35.45 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.7 mmpt? -56.02 -40.4 73.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.22 -43.72 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 932' ' ' LEU . 6.2 t -39.03 -42.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 938' ' ' GLU . 60.2 mt -84.79 -66.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -32.47 -41.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 36.2 ttm -49.79 -71.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 48.2 m -40.96 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -48.92 69.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.6 OUTLIER -103.61 23.75 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 1.007 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.16 -52.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.509 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 2.0 tt0 -42.97 -52.32 11.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.97 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.79 133.26 0.43 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.95 177.39 8.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.04 -16.07 20.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 -25.72 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.444 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -98.14 -6.01 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 1.007 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.94 -45.78 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -48.75 -48.15 70.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.788 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.473 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 4.8 ttp -33.95 -52.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.67 HG21 ' CG ' ' A' 1002 ' ' MET . 2.3 t -62.73 -55.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.24 -34.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -58.93 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -40.27 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -62.08 -39.68 97.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -39.89 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.98 73.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.908 HD13 HD22 ' A' ' 995' ' ' LEU . 2.1 mt -55.62 -50.53 69.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -48.56 -55.26 11.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 15.0 m -62.08 -38.5 89.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.95 -41.46 67.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 8.6 mp -57.81 -58.1 9.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.23 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.459 ' C ' HG22 ' A' ' 925' ' ' VAL . 26.1 p -49.46 -45.86 47.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.427 ' H ' ' HG1' ' A' ' 968' ' ' THR . 2.7 t -57.66 -40.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.66 -33.85 35.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 975' ' ' VAL . 12.7 mt-10 -81.7 -23.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.549 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -85.1 -33.86 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 984' ' ' ILE . 0.8 OUTLIER -39.89 -50.93 5.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.537 ' HD2' ' C ' ' A' ' 971' ' ' GLU . 18.3 Cg_endo -74.98 -35.14 3.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 971' ' ' GLU . 26.3 t -48.49 -26.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.82 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.8 mm? -107.54 158.05 34.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.1 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 977' ' ' PRO . . . -47.17 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 15.4 m 68.84 26.85 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.617 ' CG2' ' HB1' ' A' 1042 ' ' ALA . 1.0 OUTLIER -116.45 -63.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 1.8 p80 -43.49 -27.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 980' ' ' THR . 1.4 ttp180 -77.69 -68.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.929 ' HB3' HG11 ' A' 1038 ' ' VAL . 15.7 mt-10 -56.75 -44.26 81.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.633 HG21 HD21 ' A' ' 973' ' ' LEU . 1.6 mp -58.02 -32.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -68.56 -39.23 81.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.21 62.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.78 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -78.66 -26.83 45.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -57.06 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.637 HD21 HD23 ' A' ' 962' ' ' LEU . 22.3 tp -51.1 -63.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.58 ' HA ' HD23 ' A' ' 995' ' ' LEU . 0.6 OUTLIER -42.79 -55.87 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.24 -70.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -53.66 -33.97 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.908 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.55 -59.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -58.31 -49.44 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.16 -29.32 30.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 998' ' ' LEU . 0.8 OUTLIER -75.6 -53.1 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.639 HD13 HG13 ' A' ' 955' ' ' VAL . 34.1 mm -44.48 -41.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.449 ' CG ' HD11 ' A' 1004 ' ' LEU . 52.8 t30 -59.45 -61.59 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' 1004 ' ' LEU . 1.4 mptt -47.5 -23.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.67 ' CG ' HG21 ' A' ' 955' ' ' VAL . 0.5 OUTLIER -87.12 -53.04 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.2 mtpt -52.38 -29.72 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' 1001 ' ' LYS . 1.5 mt -78.03 -51.06 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' 1009 ' ' VAL . . . -39.28 -48.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.484 ' HG3' HG23 ' A' ' 952' ' ' VAL . 5.3 tm0? -39.18 -46.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.47 -34.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 54.9 m-85 -87.65 39.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' 1014 ' ' GLN . 4.5 t -129.27 -48.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -36.36 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' 1013 ' ' LEU . 9.9 t -104.4 161.76 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -44.12 -32.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.766 ' HB2' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -40.25 -29.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' 1009 ' ' VAL . 1.4 tt0 -35.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 20.3 pt20 -37.09 -40.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.672 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.3 OUTLIER -54.7 -56.4 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.662 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 6.1 m-85 -67.5 -30.42 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.412 ' HD2' HG23 ' A' ' 943' ' ' ILE . 12.0 mmtt -53.86 -39.13 65.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -71.69 -44.28 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -52.16 -59.14 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.477 ' HG2' ' CD2' ' A' ' 998' ' ' LEU . 0.0 OUTLIER -49.65 -41.8 43.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' 1022 ' ' LEU . 3.3 tm? -57.74 -43.26 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -49.54 -49.62 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.42 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -51.43 -31.53 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.21 -56.89 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.73 76.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' 1028 ' ' LEU . 9.3 mt -55.06 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.621 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -38.6 -42.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -69.03 -53.84 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -41.52 -63.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.507 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -52.86 -32.94 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.0 OUTLIER -68.9 -57.34 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.61 -30.92 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.19 -68.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 1.052 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -63.41 -40.04 96.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' 1036 ' ' LEU . 28.1 t0 -39.01 -53.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.929 HG11 ' HB3' ' A' ' 983' ' ' GLU . 76.8 t -60.3 -43.47 93.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.82 HG23 ' HG ' ' A' ' 976' ' ' LEU . 11.3 mt -56.38 -46.88 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -49.69 -38.07 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.53 ' HA ' HD21 ' A' 1044 ' ' LEU . 7.7 mt-30 -77.39 -23.3 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.617 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -80.65 -46.17 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -51.94 -49.22 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.851 HD12 ' N ' ' A' 1045 ' ' LYS . 4.4 pp -60.14 -42.9 95.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.851 ' N ' HD12 ' A' 1044 ' ' LEU . 1.1 tptp -40.06 -31.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.1 OUTLIER -82.81 -50.84 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.513 ' HB3' HG11 ' A' ' 975' ' ' VAL . 11.8 p-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -76.04 -45.96 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -63.78 -54.35 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.871 ' O ' HG23 ' A' ' 929' ' ' VAL . 23.3 t -49.51 -54.58 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.963 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -61.38 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.13 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.639 ' HB3' HD12 ' A' ' 965' ' ' LEU . 1.1 t-20 -53.01 -24.12 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 925' ' ' VAL . 37.4 t -72.97 -39.29 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 926' ' ' TYR . 45.8 p -83.58 -29.09 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -62.51 -60.37 7.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.978 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -60.57 -40.31 91.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.978 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.3 t -65.22 -45.83 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -55.37 -48.39 74.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.64 -45.1 72.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 932' ' ' LEU . 1.6 t -37.62 -41.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 938' ' ' GLU . 9.7 mt -84.8 -67.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -36.81 -42.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.92 -62.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.785 ' CB ' HD23 ' A' 1022 ' ' LEU . 0.1 OUTLIER -50.16 -38.71 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -47.19 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.745 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.36 20.61 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 940' ' ' SER . 1.3 mt -96.51 -61.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.563 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -47.1 -48.32 54.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -74.98 -13.93 21.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -89.44 135.09 31.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.441 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.99 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -74.98 -20.99 16.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -11.05 56.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -116.88 -3.51 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' 1002 ' ' MET . 1.1 t80 -92.14 -41.24 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -48.64 -47.83 70.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.03 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.543 ' HE1' ' HA ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -33.57 -52.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 999' ' ' ILE . 0.4 OUTLIER -65.62 -50.52 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.49 ' N ' ' CG1' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -40.17 -35.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.19 -54.56 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -42.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -59.39 -44.37 96.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -50.9 71.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.96 55.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 995' ' ' LEU . 5.3 mt -55.78 -52.8 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . 0.528 ' HA ' HD23 ' A' ' 966' ' ' LEU . 0.0 OUTLIER -49.19 -55.7 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.822 ' O ' HG23 ' A' ' 968' ' ' THR . 3.5 m -50.77 -34.06 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.9 OUTLIER -55.41 -51.8 65.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 963' ' ' ARG . 2.8 mm? -48.43 -44.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -67.08 -63.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 964' ' ' THR . 73.2 p -44.17 -42.6 6.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 965' ' ' LEU . 57.2 t -55.62 -47.87 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.934 ' HA ' HD12 ' A' ' 973' ' ' LEU . 5.1 t0 -53.05 -22.4 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.489 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 4.9 tt0 -79.88 -21.3 44.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.513 ' OG ' HG11 ' A' ' 925' ' ' VAL . 0.0 OUTLIER -89.14 -15.24 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.934 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.3 OUTLIER -58.24 -50.34 88.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.03 -40.51 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 922' ' ' ASN . 20.9 t -58.56 -25.75 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.3 OUTLIER -105.67 164.06 15.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.58 5.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.33 53.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.71 7.62 3.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.912 HG22 ' CB ' ' A' 1042 ' ' ALA . 1.1 p -117.95 39.52 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 984' ' ' ILE . 30.3 m170 -84.46 -110.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -44.32 -33.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.793 ' HB3' HG11 ' A' 1038 ' ' VAL . 2.5 mt-10 -60.91 -42.72 98.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.802 HD11 HG13 ' A' 1039 ' ' ILE . 22.6 mm -73.29 -38.16 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.27 -27.4 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -43.65 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.01 46.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.526 ' OE1' HD13 ' A' ' 966' ' ' LEU . 1.6 mm100 -76.51 -51.06 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -50.98 67.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 995' ' ' LEU . 26.7 tp -45.44 -67.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.402 ' HA ' HD23 ' A' ' 995' ' ' LEU . 32.6 t-20 -50.5 -61.66 2.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 23.2 t -41.13 -60.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.551 ' CG ' HD21 ' A' 1028 ' ' LEU . 0.9 OUTLIER -59.4 -38.72 81.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -53.27 -57.74 9.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.83 -46.01 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.95 -33.77 57.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 8.5 tt -75.8 -50.64 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.599 HD13 HG22 ' A' ' 955' ' ' VAL . 21.2 mm -53.54 -50.62 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 11.9 t30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 2.3 tptt -52.96 -47.74 67.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -62.66 -51.12 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -42.42 -42.43 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' 1008 ' ' TYR . 8.1 mt -77.51 -36.64 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' 1002 ' ' MET . . . -51.97 -21.6 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -91.6 -24.1 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.9 OUTLIER -95.9 -11.11 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.804 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 0.2 OUTLIER -102.04 -37.67 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' 1011 ' ' THR . 3.0 p -41.13 -42.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.748 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -36.76 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.748 HG23 ' CE ' ' A' 1010 ' ' MET . 73.1 p -96.96 -139.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 -4.56 10.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' 1016 ' ' GLU . 3.3 mm? -65.68 -11.62 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.447 ' OE1' ' NE2' ' A' ' 944' ' ' GLN . 1.2 tt0 -36.86 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.71 -32.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -66.84 -54.96 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.804 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 1.4 m-85 -69.51 -24.81 63.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.43 ' HE3' HG22 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -62.13 -42.34 99.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -32.85 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -56.84 -61.74 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 943' ' ' ILE . 13.4 ptm -59.29 -25.67 64.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.785 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.4 tm? -67.69 -47.48 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.8 m -50.7 -47.16 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.75 93.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.72 -31.15 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -57.27 8.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -68.69 -35.58 77.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.551 HD21 ' CG ' ' A' ' 994' ' ' ASP . 0.2 OUTLIER -59.28 -63.63 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.518 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.7 -44.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.85 -45.17 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' 1028 ' ' LEU . 3.5 t70 -41.8 -55.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.69 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -56.51 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -43.28 -42.0 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 3.8 tt -48.76 -65.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.963 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.59 -39.21 91.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -43.15 -44.23 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 983' ' ' GLU . 67.7 t -68.86 -38.46 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.802 HG13 HD11 ' A' ' 984' ' ' ILE . 4.5 mt -56.87 -51.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.68 -43.4 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.769 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.0 OUTLIER -70.84 -29.35 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.912 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -72.57 -48.62 38.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.449 ' CA ' HD13 ' A' ' 976' ' ' LEU . 0.0 OUTLIER -46.01 -64.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' 1041 ' ' GLN . 2.2 pp -43.38 -44.18 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.567 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -41.46 -31.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 30.8 ttp -88.11 -53.24 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.1 p30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.01 -36.31 61.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -55.22 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 968' ' ' THR . 11.9 t -57.69 -45.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.919 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -65.37 -29.47 70.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.67 -64.31 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.591 ' OD1' HG21 ' A' ' 968' ' ' THR . 18.9 m120 -44.48 -51.02 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.592 ' O ' HD13 ' A' ' 932' ' ' LEU . 3.9 t -43.72 -56.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 926' ' ' TYR . 81.3 p -70.24 -24.06 63.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -61.73 -76.16 0.26 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.902 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -50.7 -39.93 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.902 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.5 t -60.53 -58.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.85 -35.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -80.74 -47.04 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.9 t -38.33 -40.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.0 mt -82.44 -68.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -37.0 -46.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.471 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 40.0 mtp -44.7 -60.25 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.579 ' HB2' HD23 ' A' 1022 ' ' LEU . 74.3 p -46.82 -39.03 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.911 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -88.35 29.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.2 OUTLIER -93.89 -60.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.561 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -41.89 -49.41 10.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.02 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.84 124.52 0.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 951' ' ' TYR . 18.1 Cg_endo -75.07 177.74 8.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.99 -13.31 21.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.45 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -105.17 -11.08 16.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 947' ' ' PRO . 16.6 t80 -90.79 -40.1 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.63 -48.79 48.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.451 ' CE ' ' HE3' ' A' ' 942' ' ' LYS . 2.8 ttm -34.85 -54.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' 1002 ' ' MET . 37.2 t -65.65 -53.41 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -43.31 -38.75 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.3 OUTLIER -59.14 -62.15 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -39.82 -39.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -58.55 -50.55 65.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.5 OUTLIER -52.45 -49.47 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 932' ' ' LEU . . . -51.58 -54.2 30.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.791 HD13 HD13 ' A' ' 995' ' ' LEU . 2.5 mt -55.73 -49.33 73.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -53.59 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 4.7 m -62.0 -41.91 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.985 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.0 OUTLIER -51.7 -50.43 60.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 962' ' ' LEU . 9.9 mp -47.71 -57.43 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.03 84.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.855 HG22 HG22 ' A' ' 925' ' ' VAL . 10.2 m -53.87 -44.82 70.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 965' ' ' LEU . 22.3 t -55.35 -46.27 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 40.5 t0 -49.1 -39.23 27.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 975' ' ' VAL . 6.4 mt-10 -73.46 -24.0 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.993 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.33 -30.56 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.585 HD22 ' CE1' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -38.4 -52.26 3.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.95 -36.9 2.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.792 ' C ' HD13 ' A' ' 976' ' ' LEU . 55.1 t -47.99 -33.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 972' ' ' SER . 0.0 OUTLIER -102.8 151.62 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 979' ' ' SER . . . -53.05 111.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 978' ' ' ALA . 10.1 p 167.52 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.961 ' OG1' HG12 ' A' 1038 ' ' VAL . 5.4 t -108.6 0.15 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.585 ' CE1' HD22 ' A' ' 973' ' ' LEU . 7.9 m-70 -49.92 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.71 -67.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.786 ' CB ' HG11 ' A' 1038 ' ' VAL . 38.8 mt-10 -45.89 -43.54 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.938 HD11 HG12 ' A' 1039 ' ' ILE . 2.8 mt -62.63 -41.75 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -45.43 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -21.0 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.453 ' NE2' HG21 ' A' ' 969' ' ' VAL . 2.5 mm-40 -73.67 -43.86 58.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -63.23 -27.34 69.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . 0.533 HD22 ' OD1' ' A' 1031 ' ' ASP . 0.5 OUTLIER -72.24 -58.5 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.663 HD21 HD23 ' A' ' 962' ' ' LEU . 40.8 tp -56.89 -56.55 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 995' ' ' LEU . 16.3 t30 -46.1 -45.46 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.76 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.554 ' HB3' HD21 ' A' 1028 ' ' LEU . 1.8 m-20 -49.28 -30.52 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.791 HD13 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -59.43 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.59 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -45.39 -34.08 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.573 HD12 HG13 ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.38 -51.66 28.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.411 HD13 HG12 ' A' ' 955' ' ' VAL . 17.7 mm -56.11 -49.72 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.67 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -45.38 4.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.642 ' CB ' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -63.01 -47.88 81.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -53.61 -22.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' 1008 ' ' TYR . 12.4 mt -91.54 -44.03 9.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -52.86 -19.39 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.472 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 2.3 tt0 -88.06 -28.45 21.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' 1004 ' ' LEU . 2.4 tm0? -100.25 -4.14 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.493 ' CZ ' ' OH ' ' A' 1017 ' ' TYR . 10.5 m-85 -112.05 -8.66 14.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1011 ' ' THR . 2.4 p -73.42 -38.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.555 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.555 HG23 ' CE ' ' A' 1010 ' ' MET . 62.3 p -104.37 -108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.455 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -156.42 23.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' 1014 ' ' GLN . 1.2 mm? -81.12 -25.92 36.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -37.53 -59.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -42.6 -50.05 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.7 -55.22 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.493 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 17.6 m-85 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 8.3 mttm -48.15 -36.82 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -30.18 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' 1017 ' ' TYR . 76.6 mm-40 -62.47 -60.7 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 4.6 ppp? -58.31 -31.17 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.579 HD23 ' HB2' ' A' ' 940' ' ' SER . 2.7 tm? -56.6 -50.1 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.5 m -56.27 -41.49 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.84 81.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -61.66 -31.76 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -72.72 -50.91 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.588 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.31 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 994' ' ' ASP . 10.3 mt -55.62 -67.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.37 -45.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -67.64 -48.45 76.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.533 ' OD1' HD22 ' A' ' 990' ' ' LEU . 26.0 m-20 -49.5 -57.59 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.62 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' 1035 ' ' LEU . 3.0 tptt -69.7 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' 1038 ' ' VAL . 9.2 p30 -45.16 -26.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' 1034 ' ' ASN . 5.9 tt -62.28 -67.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.919 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -41.02 -52.03 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.961 HG12 ' OG1' ' A' ' 980' ' ' THR . 84.5 t -63.44 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.956 HG23 ' HG ' ' A' ' 976' ' ' LEU . 54.6 mt -59.84 -43.13 91.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . 0.542 ' O ' ' CD2' ' A' 1044 ' ' LEU . 1.1 t0 -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -62.24 -25.43 67.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -75.67 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 1042 ' ' ALA . 4.1 ttp-105 -35.28 -66.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' 1040 ' ' ASP . 0.2 OUTLIER -47.91 -47.07 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -44.22 -26.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -84.96 -47.24 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 12.8 p30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 927' ' ' GLU . 17.7 t0 -77.63 -39.9 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -56.55 -48.66 76.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 968' ' ' THR . 61.2 t -56.28 -46.74 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.716 ' CD1' HD11 ' A' 1036 ' ' LEU . 5.6 m-30 -71.19 -25.39 62.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 923' ' ' ASP . 13.6 mm-40 -71.68 -42.72 67.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -53.62 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.591 HG22 HD12 ' A' ' 965' ' ' LEU . 9.9 t -48.52 -52.04 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.2 p -59.48 -57.43 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.3 -25.08 25.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.795 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -75.68 -59.88 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.561 ' O ' HD12 ' A' ' 937' ' ' ILE . 29.4 m -63.3 -35.19 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -38.32 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -86.45 -45.64 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 933' ' ' VAL . 0.4 OUTLIER -38.87 -40.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.561 HD12 ' O ' ' A' ' 933' ' ' VAL . 5.7 mt -84.44 -67.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.62 -42.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.505 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.4 mtp -45.22 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.562 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.0 m -41.54 -32.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 0.6 OUTLIER -61.0 -53.0 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.815 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.15 28.82 6.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -93.64 -51.22 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -42.98 -52.97 10.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.815 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.5 125.79 0.51 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.437 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.05 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.05 -15.92 20.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 -18.09 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.423 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -110.23 -5.92 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.693 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 9.2 t80 -92.2 -41.11 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.85 -48.67 50.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.99 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.02 -53.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' A' 1002 ' ' MET . 29.4 t -68.69 -52.79 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -40.69 -33.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.79 -57.18 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.473 ' O ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.56 -38.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -62.68 -39.39 97.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -37.86 87.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.57 -56.92 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.881 ' O ' HD12 ' A' ' 966' ' ' LEU . 4.2 mm? -50.42 -48.18 56.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -47.06 -51.55 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 965' ' ' LEU . 4.2 m -64.49 -52.26 58.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.0 OUTLIER -39.15 -39.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 962' ' ' LEU . 1.4 mp -63.49 -62.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -49.53 -58.54 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 968' ' ' THR . 72.7 p -51.39 -41.48 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 965' ' ' LEU . 3.1 t -61.36 -42.98 95.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.1 t0 -48.89 -38.06 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 975' ' ' VAL . 27.7 mt-10 -75.72 -25.01 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.489 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 1.5 t -85.0 -27.01 26.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.1 OUTLIER -42.49 -52.93 9.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -35.54 3.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.792 HG12 HD22 ' A' ' 976' ' ' LEU . 40.2 t -47.22 -33.04 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.792 HD22 HG12 ' A' ' 975' ' ' VAL . 0.9 OUTLIER -106.92 148.32 36.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.657 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.03 158.76 41.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.11 176.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.5 OUTLIER 87.61 -17.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.872 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 2.6 t -116.25 -12.98 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 982' ' ' ARG . 14.8 m170 -67.83 -56.65 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 13.3 mtm-85 -37.39 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.476 ' HB3' HG21 ' A' 1038 ' ' VAL . 1.4 tt0 -50.72 -41.83 56.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.835 HD11 ' CG1' ' A' 1039 ' ' ILE . 4.8 mt -53.64 -45.78 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -47.96 73.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.6 mtm -73.58 -29.28 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.87 -24.54 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -80.51 -44.72 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.11 -37.98 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -59.37 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.606 HD12 HD22 ' A' 1028 ' ' LEU . 28.7 tp -53.7 -43.94 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 995' ' ' LEU . 13.4 m-80 -63.13 -43.03 99.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.662 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.3 m-20 -53.96 -31.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -59.13 -57.75 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.86 -53.91 49.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.32 -31.73 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 5.5 tt -71.21 -50.87 28.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.503 HD13 ' CG1' ' A' ' 955' ' ' VAL . 26.5 mm -48.85 -48.78 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -62.67 -53.67 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.645 ' HA ' HD12 ' A' 1004 ' ' LEU . 6.5 mmmt -41.16 -42.61 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.654 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.7 OUTLIER -65.62 -47.46 75.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -56.11 -26.64 50.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' 1001 ' ' LYS . 7.1 mt -83.95 -55.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 1.041 ' O ' HG23 ' A' 1009 ' ' VAL . . . -44.71 -45.14 9.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.404 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.8 OUTLIER -41.95 -43.96 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' 1009 ' ' VAL . 4.9 tt0 -74.48 -75.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.705 ' CZ ' ' CE1' ' A' 1017 ' ' TYR . 49.6 m-85 -28.86 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 1.041 HG23 ' O ' ' A' 1005 ' ' ALA . 53.7 t -36.36 -52.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -29.43 -71.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.739 HG23 ' H ' ' A' 1013 ' ' LEU . 15.3 t -71.12 -145.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.602 ' N ' HG23 ' A' 1011 ' ' THR . 60.7 p -112.6 -24.46 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.739 ' H ' HG23 ' A' 1011 ' ' THR . 1.0 OUTLIER -38.86 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.885 ' NE2' HG22 ' A' 1009 ' ' VAL . 20.9 tt0 -38.25 -55.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' 1012 ' ' SER . 0.6 OUTLIER -38.64 -42.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.424 ' CB ' HD23 ' A' 1013 ' ' LEU . 6.1 tt0 -61.3 -54.11 48.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.705 ' CE1' ' CZ ' ' A' 1008 ' ' TYR . 1.7 m-85 -59.08 -35.85 74.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.4 ' HE3' ' CD ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -50.57 -48.41 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -52.51 -52.85 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.464 ' SD ' ' CE ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -47.04 -52.49 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.76 -48.48 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.62 89.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.53 -33.93 10.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.56 -53.71 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.31 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.662 HD21 ' CB ' ' A' ' 994' ' ' ASP . 9.5 mt -58.2 -66.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -38.67 -39.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 45.8 t -74.4 -52.2 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.458 ' OD2' HD23 ' A' 1028 ' ' LEU . 96.1 m-20 -42.18 -59.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -57.08 -33.63 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.7 OUTLIER -66.49 -50.03 64.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -57.5 -19.66 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.475 ' O ' HG12 ' A' 1038 ' ' VAL . 1.5 tt -69.16 -58.29 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.13 -37.28 69.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.9 t70 -43.13 -63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.782 HG22 ' OG1' ' A' ' 980' ' ' THR . 7.4 p -53.81 -42.95 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.835 ' CG1' HD11 ' A' ' 984' ' ' ILE . 12.8 mt -55.22 -44.7 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -39.61 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.702 ' HA ' HD21 ' A' 1044 ' ' LEU . 9.6 tt0 -69.23 -21.82 63.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.872 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -84.98 -56.51 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.417 ' O ' HD12 ' A' 1047 ' ' ILE . 1.6 ttt180 -37.93 -43.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' 1045 ' ' LYS . 4.3 pp -67.04 -49.48 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.797 ' N ' HD12 ' A' 1044 ' ' LEU . 26.2 mttm -40.24 -29.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' 1044 ' ' LEU . 2.9 tmm? -87.03 -54.4 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' 1043 ' ' ARG . 2.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 14.6 t30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.77 -49.0 12.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.25 -55.23 5.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 968' ' ' THR . 73.1 t -61.82 -70.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.828 ' CD1' HD21 ' A' 1036 ' ' LEU . 5.2 m-30 -38.01 -36.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 928' ' ' ASN . 31.0 mm-40 -65.26 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.517 ' HB3' HD13 ' A' ' 965' ' ' LEU . 3.2 t-20 -39.47 -42.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' 1036 ' ' LEU . 76.3 t -55.4 -64.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 934' ' ' LYS . 80.6 p -55.65 -47.95 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.56 -45.58 46.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.1 OUTLIER -74.18 -53.3 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 932' ' ' LEU . 0.5 OUTLIER -55.15 -31.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.0 OUTLIER -61.37 -47.87 83.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.54 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.627 HG23 HD12 ' A' ' 932' ' ' LEU . 2.9 t -40.33 -45.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.4 mt -83.86 -65.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -36.07 -46.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 943' ' ' ILE . 75.7 mtp -45.14 -63.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.494 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 51.2 m -42.9 -41.34 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 5.0 t -58.44 -65.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.926 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -88.09 31.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.1 OUTLIER -95.22 -59.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.577 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -43.55 -49.21 18.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.1 Cg_endo -75.01 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.926 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.41 126.58 0.88 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.445 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.07 177.04 9.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.05 -14.52 21.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.03 -16.68 27.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.454 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -112.83 -10.07 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 3.6 t80 -91.85 -40.01 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -49.41 -47.72 76.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.97 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 953' ' ' PRO . 10.2 ttm -34.49 -51.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' 1002 ' ' MET . 13.5 t -71.16 -52.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -41.33 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -56.0 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.665 HG12 ' CD1' ' A' ' 962' ' ' LEU . 74.9 t -40.47 -58.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -43.87 -49.0 7.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -54.88 29.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.09 -58.94 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 932' ' ' LEU . 1.2 mp -53.09 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -48.05 -55.95 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 3.3 m -58.98 -40.48 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 1.033 ' O ' HG23 ' A' ' 969' ' ' VAL . 59.1 tp -55.05 -53.54 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 962' ' ' LEU . 11.0 mp -42.46 -55.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.13 -48.73 80.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.888 HG22 HG22 ' A' ' 925' ' ' VAL . 20.4 m -54.58 -42.65 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 1.033 HG23 ' O ' ' A' ' 965' ' ' LEU . 9.3 t -56.62 -46.48 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.71 -39.1 23.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 22.6 mt-10 -76.81 -23.82 52.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.554 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.88 -26.16 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.522 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.03 -50.82 13.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -35.36 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 4.4 t -46.86 -32.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.772 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -109.68 146.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.828 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.3 Cg_endo -74.99 161.92 38.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.24 175.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.2 t 87.59 -17.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.913 HG23 HD12 ' A' ' 984' ' ' ILE . 5.7 t -116.25 -17.21 10.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 978' ' ' ALA . 15.8 m170 -62.49 -56.5 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 981' ' ' HIS . 10.7 ttm180 -38.24 -74.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.448 ' HB2' HG11 ' A' 1038 ' ' VAL . 25.7 mt-10 -50.62 -40.35 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.913 HD12 HG23 ' A' ' 980' ' ' THR . 7.2 mt -55.1 -52.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -42.7 61.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.1 mtt -71.19 -28.84 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.52 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.523 HE22 HG21 ' A' ' 969' ' ' VAL . 2.4 mm-40 -69.87 -49.84 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -60.59 -34.0 73.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -47.72 74.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.7 HD21 HD23 ' A' ' 962' ' ' LEU . 41.7 tp -57.55 -60.39 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -47.12 -53.46 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -68.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -38.13 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.703 ' CG ' HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.78 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.27 -46.28 24.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.8 -28.89 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 995' ' ' LEU . 2.5 tt -79.54 -48.91 13.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.509 HD13 HG12 ' A' ' 955' ' ' VAL . 4.8 mm -57.46 -55.12 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -52.37 -49.56 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -51.76 -43.01 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.857 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -68.13 -40.48 82.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -55.12 -27.79 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.5 mt -95.96 -33.79 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' 1002 ' ' MET . . . -68.36 -8.29 38.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 21.0 tm0? -79.37 -35.11 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' 1009 ' ' VAL . 31.3 tt0 -98.13 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 1.008 ' O ' HG22 ' A' 1011 ' ' THR . 12.6 m-85 -37.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' 1007 ' ' GLN . 2.9 p -41.15 -40.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.53 ' CE ' ' O ' ' A' 1010 ' ' MET . 0.0 OUTLIER -72.74 52.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 1.008 HG22 ' O ' ' A' 1008 ' ' TYR . 6.0 t -175.37 173.91 2.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' 1015 ' ' GLN . 8.8 m -66.34 -31.8 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.679 ' H ' HG23 ' A' 1011 ' ' THR . 1.5 mt -51.0 -29.16 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' 1013 ' ' LEU . 3.6 tt0 -38.11 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' 1012 ' ' SER . 4.1 pt20 -47.58 -38.8 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.16 -50.59 71.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.544 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 2.5 m-85 -59.34 -34.86 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 943' ' ' ILE . 8.9 mptt -54.56 -47.33 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -57.07 -44.65 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -51.62 -47.66 63.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.1 tmm? -51.21 -44.8 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -38.66 82.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.8 m -49.03 -49.34 41.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.49 13.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.436 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -47.8 -26.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 69.6 t60 -73.97 -58.28 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' 1031 ' ' ASP . . . -63.64 -35.14 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' 1028 ' ' LEU . 7.0 mt -49.04 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' 1033 ' ' LYS . . . -50.4 -35.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' 1033 ' ' LYS . 4.8 t -70.42 -72.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' 1027 ' ' ALA . 0.9 OUTLIER -45.82 -40.28 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.6 84.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' 1029 ' ' ALA . 15.9 mmtt -72.02 -51.55 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.816 ' O ' HG23 ' A' 1038 ' ' VAL . 14.3 t-20 -49.95 -31.53 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.87 -67.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.18 -42.31 99.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -42.01 -44.68 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.822 HG12 ' OG1' ' A' ' 980' ' ' THR . 90.3 t -65.03 -43.44 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.772 HG23 ' HG ' ' A' ' 976' ' ' LEU . 7.8 mt -54.5 -47.21 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.76 -40.74 60.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.821 ' HA ' HD21 ' A' 1044 ' ' LEU . 10.4 mt-30 -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.828 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -76.14 -58.15 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -35.6 -58.71 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.821 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.7 pp -51.79 -49.03 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.489 ' N ' HD12 ' A' 1044 ' ' LEU . 0.1 OUTLIER -46.92 -27.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.3 ttp -85.45 -49.0 8.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.498 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.8 p30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -66.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -45.79 -50.52 13.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.993 HG21 ' HG ' ' A' ' 972' ' ' SER . 46.7 t -54.92 -62.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.978 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -53.4 -35.11 60.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 930' ' ' THR . 11.0 mm-40 -70.91 -50.33 36.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.34 -49.29 77.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 925' ' ' VAL . 74.3 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.8 p -54.89 -54.99 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.86 -32.19 55.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -68.8 -59.49 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.433 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 35.0 m -62.28 -40.54 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.1 OUTLIER -48.54 -39.2 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.42 -45.05 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.449 HG23 HD12 ' A' ' 932' ' ' LEU . 5.3 t -37.38 -42.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 45.8 mt -83.91 -67.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -31.98 -45.69 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 3.3 mtp -48.49 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 8.2 p -37.38 -34.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.0 t -63.78 -52.67 59.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.925 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -102.54 25.89 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.539 HG12 ' CE ' ' A' ' 954' ' ' MET . 0.1 OUTLIER -92.95 -51.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.4 OUTLIER -48.18 -50.99 52.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.04 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.925 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.56 124.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.459 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 177.12 9.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.01 -16.78 19.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.03 -14.21 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.447 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -114.98 -6.6 12.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.631 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 8.9 t80 -90.83 -43.08 10.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.75 HG23 ' CD ' ' A' 1006 ' ' GLN . 0.9 OUTLIER -47.2 -48.22 55.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.06 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.539 ' CE ' HG12 ' A' ' 943' ' ' ILE . 10.8 ttm -38.38 -66.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.547 ' CG1' HD13 ' A' ' 999' ' ' ILE . 7.8 t -56.19 -51.12 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 15.0 mmmt -42.85 -41.35 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 995' ' ' LEU . 73.6 t -44.24 -39.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -43.49 99.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -43.28 95.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.95 95.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.814 HD13 ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.57 -40.09 96.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . 0.416 ' N ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -52.46 -54.56 30.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 968' ' ' THR . 8.3 m -57.61 -49.44 76.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.809 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.0 OUTLIER -39.12 -48.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -48.49 -57.74 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.491 ' CG2' HG22 ' A' ' 964' ' ' THR . 59.7 p -51.41 -45.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 965' ' ' LEU . 22.7 t -55.43 -40.75 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 7.0 t0 -54.32 -38.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.4 mt-10 -71.57 -25.19 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.993 ' HG ' HG21 ' A' ' 925' ' ' VAL . 0.3 OUTLIER -84.51 -30.47 25.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.1 OUTLIER -37.32 -53.03 2.29 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.0 -37.43 2.03 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 971' ' ' GLU . 54.1 t -47.82 -32.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 972' ' ' SER . 0.5 OUTLIER -107.59 158.48 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 979' ' ' SER . 18.3 Cg_endo -74.99 145.25 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -42.17 -28.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 977' ' ' PRO . 28.1 t -37.62 -34.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.73 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 3.6 t -116.57 54.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.487 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -81.86 -83.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 985' ' ' GLU . 15.0 tpp180 -44.59 -62.16 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.569 ' HB3' HG21 ' A' 1038 ' ' VAL . 44.6 mt-10 -36.31 -53.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.877 HD11 HG12 ' A' 1039 ' ' ILE . 1.5 mt -58.01 -48.78 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 982' ' ' ARG . 1.0 OUTLIER -60.64 -36.97 79.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.3 mtp -77.01 -27.85 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.42 70.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.501 ' CD ' HG11 ' A' ' 969' ' ' VAL . 34.2 mt-30 -71.28 -51.7 23.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -25.02 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -55.37 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.13 -58.6 6.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -49.46 -52.14 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.35 -68.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.678 ' CB ' HD21 ' A' 1028 ' ' LEU . 4.1 m-20 -50.42 -42.39 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.814 ' HG ' HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -40.12 -48.25 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.22 -44.58 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.99 -39.11 88.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.547 HD13 ' CG1' ' A' ' 955' ' ' VAL . 2.8 mm -62.93 -62.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.58 -34.28 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -56.83 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.53 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -55.66 -17.93 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.3 mtpt -75.31 -38.86 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.94 -43.49 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.631 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -54.0 -31.31 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.75 ' CD ' HG23 ' A' ' 952' ' ' VAL . 5.0 mm100 -60.44 -34.27 73.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.88 -30.04 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.604 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 21.0 m-85 -88.44 32.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' 1011 ' ' THR . 2.5 p -117.76 -40.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -65.14 65.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER 171.44 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.5 p 155.75 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.469 ' H ' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -39.93 -30.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' 1012 ' ' SER . 47.9 tp60 -38.27 -57.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -39.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 1013 ' ' LEU . 26.7 tt0 -69.63 -67.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.604 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 18.5 m-85 -55.19 -17.79 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.48 ' NZ ' HG21 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -65.96 -58.85 4.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . 0.406 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 0.0 OUTLIER -50.38 -39.65 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.458 ' HE1' HD21 ' A' ' 998' ' ' LEU . 10.2 mmm -51.42 -41.03 60.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' 1025 ' ' ALA . 0.2 OUTLIER -63.98 -34.57 78.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -52.81 -51.74 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.18 62.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' 1022 ' ' LEU . . . -59.21 -32.49 69.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -53.42 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.89 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.678 HD21 ' CB ' ' A' ' 994' ' ' ASP . 9.0 mt -56.15 -66.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.07 -42.1 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.8 t -70.82 -51.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' 1028 ' ' LEU . 1.7 m-20 -43.64 -61.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -53.52 -31.92 48.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.7 tptt -69.37 -54.35 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -51.83 -31.03 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' 1038 ' ' VAL . 10.3 tt -58.65 -61.08 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.978 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.13 -40.84 82.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -44.1 -59.91 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' 1035 ' ' LEU . 0.5 OUTLIER -54.26 -35.74 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.877 HG12 HD11 ' A' ' 984' ' ' ILE . 5.3 mt -67.15 -46.34 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -43.51 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.64 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.0 OUTLIER -67.81 -21.85 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.73 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -87.63 -58.15 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' 1047 ' ' ILE . 17.1 ttp180 -38.79 -37.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' 1045 ' ' LYS . 4.6 pp -74.74 -47.95 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.832 ' N ' HD12 ' A' 1044 ' ' LEU . 0.3 OUTLIER -38.95 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' 1044 ' ' LEU . 1.0 OUTLIER -79.44 -54.49 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' 1043 ' ' ARG . 2.4 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.2 OUTLIER -80.17 -48.32 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -61.19 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.62 HG21 ' HB2' ' A' ' 972' ' ' SER . 60.8 t -50.87 -66.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 1.145 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.6 m-30 -47.27 -32.78 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 923' ' ' ASP . 4.2 tm-20 -72.09 -64.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -49.04 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.563 HG22 HD12 ' A' ' 965' ' ' LEU . 80.4 t -50.2 -56.18 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 931' ' ' GLY . 6.1 p -66.28 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.71 -53.33 0.64 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -63.38 -51.26 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.818 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.6 t -55.53 -61.98 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 933' ' ' VAL . 10.1 mtpt -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 932' ' ' LEU . . . -68.46 -51.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 932' ' ' LEU . 84.1 t -39.23 -39.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' 1029 ' ' ALA . 1.8 mm -84.55 -66.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -35.98 -45.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 943' ' ' ILE . 5.7 ttp -50.97 -59.58 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.556 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.6 p -45.48 -36.43 4.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -33.07 75.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.838 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -118.66 24.63 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 1.038 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -94.71 -48.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.2 tt0 -47.02 -52.52 33.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.5 Cg_endo -75.0 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.37 129.23 0.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 176.7 9.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.529 ' HB3' HG11 ' A' 1009 ' ' VAL . 18.3 Cg_endo -75.02 -17.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.98 -14.38 39.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -113.82 -10.79 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 1.038 ' CE1' HD11 ' A' ' 943' ' ' ILE . 11.9 t80 -91.06 -34.18 15.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.577 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.65 -47.84 83.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -29.59 -61.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' 1002 ' ' MET . 2.2 t -63.16 -53.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -48.98 79.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.767 HG12 HD21 ' A' ' 995' ' ' LEU . 37.2 t -50.27 -46.18 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.9 88.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -40.26 87.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 958' ' ' VAL . . . -53.07 -43.52 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 995' ' ' LEU . 72.2 mt -54.93 -57.11 12.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -47.02 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 968' ' ' THR . 30.3 m -73.24 -50.01 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.834 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.1 OUTLIER -47.22 -39.9 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -60.31 -62.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.28 -57.03 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 964' ' ' THR . 72.2 p -47.23 -47.16 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 965' ' ' LEU . 41.5 t -57.29 -40.42 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.419 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t0 -50.02 -37.96 35.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.9 mt-10 -75.76 -23.63 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.62 ' HB2' HG21 ' A' ' 925' ' ' VAL . 3.0 t -85.18 -28.0 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.32 -52.24 10.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.2 t -47.14 -30.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.78 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.2 mm? -110.65 158.09 36.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -72.93 57.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 4.5 t -123.1 -30.64 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.711 HG23 HD12 ' A' ' 984' ' ' ILE . 0.1 OUTLIER -116.38 16.34 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 2.6 m170 -48.66 -96.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 2.8 ptt180 -37.13 -45.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.17 -53.91 30.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.952 HD11 ' CG1' ' A' 1039 ' ' ILE . 1.3 mt -59.7 -36.57 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.48 -42.21 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -26.84 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -75.16 -21.51 58.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.535 ' HG2' HD11 ' A' 1035 ' ' LEU . 1.2 mt-30 -77.3 -47.92 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -66.07 -33.22 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.76 -65.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.734 HD11 HD12 ' A' ' 995' ' ' LEU . 1.4 tp -45.26 -47.85 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.677 ' OD1' HD13 ' A' ' 962' ' ' LEU . 1.4 t30 -56.8 -57.82 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.75 -63.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.734 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.8 m-20 -51.42 -56.73 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 1.022 HD13 HD11 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -46.73 -54.02 10.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.06 -36.54 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.88 -31.01 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.568 HD13 HD12 ' A' 1028 ' ' LEU . 1.8 tt -75.2 -40.03 59.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.614 HD13 HG13 ' A' ' 955' ' ' VAL . 47.0 mm -54.21 -45.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' LYS . 49.3 t30 -62.04 -55.71 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.69 -46.3 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.657 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -64.42 -36.63 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1000 ' ' ASN . 1.0 OUTLIER -64.8 -21.76 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.72 -46.37 10.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.351 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.755 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -59.58 -15.21 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -32.0 66.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' 1010 ' ' MET . 0.3 OUTLIER -107.49 -23.14 12.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.422 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.4 m-85 -86.0 4.0 39.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 948' ' ' PRO . 1.7 p -79.99 -40.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -51.36 -19.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' 1012 ' ' SER . 1.4 t -114.99 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.539 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -89.52 17.66 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.534 ' HB2' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -80.9 -33.39 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -36.52 -66.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -34.12 -38.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.6 OUTLIER -67.94 -67.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.422 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -55.02 -19.7 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' 1021 ' ' MET . 6.2 mptt -66.74 -48.82 67.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -63.53 -25.7 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -68.4 -58.97 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.5 ptm -52.3 -24.33 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -71.24 -45.62 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.3 m -49.56 -44.75 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . 0.528 ' HB3' HD12 ' A' ' 998' ' ' LEU . . . -75.8 -47.18 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.551 ' HB1' HG12 ' A' ' 936' ' ' VAL . . . -55.15 -29.94 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.88 -56.03 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.35 80.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 994' ' ' ASP . 10.1 mt -54.56 -65.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.895 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.95 -45.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.4 t -68.98 -53.07 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -41.14 -62.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.561 ' HB3' HG21 ' A' ' 933' ' ' VAL . . . -50.02 -36.25 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.4 tptt -63.1 -46.21 88.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.92 -39.97 72.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.717 ' O ' HG12 ' A' 1038 ' ' VAL . 8.5 tt -49.17 -57.8 6.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 1.145 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -73.17 -39.23 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 47.7 t0 -45.64 -51.53 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' 1035 ' ' LEU . 12.3 p -63.27 -34.71 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.952 ' CG1' HD11 ' A' ' 984' ' ' ILE . 11.4 mt -63.16 -50.12 80.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -45.81 47.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.696 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.2 OUTLIER -65.62 -21.56 66.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.58 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -83.51 -56.72 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.436 ' HG3' ' CE ' ' A' 1046 ' ' MET . 10.3 ttp180 -43.26 -42.68 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.696 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.6 pp -72.2 -36.55 69.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' 1044 ' ' LEU . 8.3 tmtt? -53.02 -20.79 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.436 ' CE ' ' HG3' ' A' 1043 ' ' ARG . 0.0 OUTLIER -89.03 -39.68 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' 1046 ' ' MET . 3.2 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.597 ' OD1' HG11 ' A' ' 975' ' ' VAL . 2.7 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -48.45 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.87 -49.88 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 929' ' ' VAL . 81.7 t -53.64 -49.12 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.976 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.8 m-30 -64.26 -37.36 87.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 928' ' ' ASN . 3.5 mm-40 -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.485 ' OD1' HG21 ' A' ' 968' ' ' THR . 15.3 m120 -40.38 -51.54 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.75 ' CG2' HD11 ' A' ' 965' ' ' LEU . 60.8 t -47.59 -62.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.4 p -61.21 -60.92 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -38.35 -50.96 2.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.17 -50.39 48.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' A' 1032 ' ' ALA . 2.1 t -52.21 -32.68 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.6 -50.5 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -64.18 -42.74 96.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.556 HG23 HD12 ' A' ' 932' ' ' LEU . 2.7 t -38.96 -49.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' 1029 ' ' ALA . 5.0 mt -84.92 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.69 -42.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 13.6 ttm -46.44 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.504 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.3 m -38.16 -35.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -51.08 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.873 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.63 26.91 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.821 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.93 -51.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.0 tt0 -45.85 -51.86 28.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.99 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.873 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.89 131.39 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.446 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.0 -16.82 20.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.4 -18.86 29.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.2 tp10 -106.19 -4.76 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.821 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -91.95 -43.6 9.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.853 HG23 ' OE1' ' A' 1006 ' ' GLN . 0.9 OUTLIER -54.55 -47.17 98.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -74.95 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.465 ' HE1' HG12 ' A' ' 943' ' ' ILE . 1.6 tmm? -32.58 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.878 HG11 ' HG2' ' A' 1002 ' ' MET . 75.9 t -67.68 -54.62 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -46.75 -36.69 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -53.09 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.445 ' CG1' ' CD1' ' A' ' 962' ' ' LEU . 2.2 t -43.5 -57.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.6 -44.85 8.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.45 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 995' ' ' LEU . 1.1 mt -56.94 -47.38 80.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . 0.452 ' HA ' HD13 ' A' ' 966' ' ' LEU . 0.1 OUTLIER -47.24 -53.81 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 968' ' ' THR . 1.2 m -58.5 -27.44 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.75 HD11 ' CG2' ' A' ' 929' ' ' VAL . 10.0 tp -59.64 -44.25 93.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 966' ' ' LEU . 6.0 mp -58.99 -49.56 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.35 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 964' ' ' THR . 38.0 p -45.71 -47.52 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 965' ' ' LEU . 39.7 t -57.14 -41.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.411 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 10.5 t0 -49.25 -35.24 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 975' ' ' VAL . 11.8 mt-10 -79.88 -24.06 41.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.571 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.6 OUTLIER -86.13 -28.54 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.518 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.17 -50.8 14.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.04 -35.69 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.597 HG11 ' OD1' ' A' ' 922' ' ' ASN . 17.5 t -47.43 -33.22 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.808 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -109.46 159.61 30.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 981' ' ' HIS . 18.3 Cg_endo -75.0 175.14 11.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -81.14 49.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -20.78 8.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.998 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.884 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 1.8 t -116.77 -9.58 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 977' ' ' PRO . 13.8 m170 -48.31 -59.45 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -44.31 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.605 ' HB2' HG11 ' A' 1038 ' ' VAL . 7.7 mt-10 -49.32 -47.63 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.753 HD12 HG23 ' A' ' 980' ' ' THR . 12.8 mt -51.1 -49.54 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -50.06 57.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.9 mtm -72.51 -28.19 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.52 -37.75 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.56 -44.73 81.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.28 68.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -56.75 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.792 HD11 HD21 ' A' ' 962' ' ' LEU . 10.3 tp -56.03 -59.32 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.51 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.3 t-20 -45.31 -45.78 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.689 ' CB ' HD21 ' A' 1028 ' ' LEU . 0.8 OUTLIER -49.48 -32.57 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.67 -60.74 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.5 -54.57 35.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -52.96 -23.7 7.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.573 HD13 HD11 ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.24 -48.2 71.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 995' ' ' LEU . 4.2 mp -62.73 -59.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.2 -43.63 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -63.04 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.878 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -51.67 -26.42 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.6 mtpt -59.51 -43.87 93.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' 1008 ' ' TYR . 12.1 mt -78.54 -29.56 46.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -55.31 -27.0 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.853 ' OE1' HG23 ' A' ' 952' ' ' VAL . 0.5 OUTLIER -93.3 -18.77 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -100.23 -1.21 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.633 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 5.4 m-85 -110.75 -16.02 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' 1010 ' ' MET . 2.2 p -67.55 -26.95 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -33.43 -45.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' 1012 ' ' SER . 9.7 t -97.84 -56.91 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.4 t 152.33 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' 1016 ' ' GLU . 1.0 OUTLIER -83.61 -19.73 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' 1018 ' ' LYS . 2.8 tt0 -36.84 -67.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' 1014 ' ' GLN . 1.9 pp0? -33.85 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' 1013 ' ' LEU . 16.7 tt0 -73.14 -68.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.633 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 7.8 m-85 -59.62 -13.82 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.08 -56.81 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . 0.439 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 3.4 mmpt? -57.01 -33.67 67.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -63.88 -55.35 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 2.0 mmm -43.61 -38.68 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' 1022 ' ' LEU . 3.0 tm? -64.07 -47.88 78.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -41.54 -48.43 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.0 61.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.87 -35.14 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -63.9 -55.99 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.639 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.38 84.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.689 HD21 ' CB ' ' A' ' 994' ' ' ASP . 11.2 mt -58.16 -65.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.57 -40.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.9 t -74.18 -54.48 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -42.02 -56.34 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.528 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -56.9 -37.01 70.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -67.14 -59.79 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.827 ' O ' HG23 ' A' 1038 ' ' VAL . 12.8 t-20 -43.27 -32.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.4 -69.1 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.976 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -43.9 -46.38 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' 1034 ' ' ASN . 85.3 t -66.56 -34.76 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.808 HG23 ' HG ' ' A' ' 976' ' ' LEU . 9.0 mt -65.55 -51.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 6.3 t0 -46.68 -46.6 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.503 ' O ' ' CD1' ' A' 1044 ' ' LEU . 28.2 tt0 -68.7 -25.94 65.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.884 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -81.82 -29.04 32.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' 1039 ' ' ILE . 0.8 OUTLIER -57.37 -64.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.799 HD22 ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -60.31 -26.02 66.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.727 ' N ' HD22 ' A' 1044 ' ' LEU . 1.8 tttp -52.54 -26.85 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -21.98 30.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 6.9 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 43.8 p-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 922' ' ' ASN . 0.9 OUTLIER -74.78 -26.86 60.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -76.28 -41.46 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.926 HG23 HG22 ' A' ' 968' ' ' THR . 2.8 t -74.75 -36.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.856 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.5 m-30 -70.89 -23.2 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.421 ' O ' HD12 ' A' ' 932' ' ' LEU . 1.7 t-20 -46.05 -38.08 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.741 ' O ' HD13 ' A' ' 932' ' ' LEU . 1.9 t -58.65 -63.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 929' ' ' VAL . 41.6 p -58.69 -30.19 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.65 -81.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.89 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -50.5 -39.92 49.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.89 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.5 t -56.13 -54.57 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -55.22 -39.8 70.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -67.91 -50.59 55.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 932' ' ' LEU . 56.3 t -34.89 -44.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' 1029 ' ' ALA . 2.6 mp -83.97 -66.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -40.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.0 OUTLIER -51.86 -69.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.529 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 93.3 p -41.11 -33.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -46.47 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.9 23.51 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.921 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -92.96 -50.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -39.0 -53.08 3.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.06 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -36.23 125.49 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.48 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.02 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.03 -18.89 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.27 -14.04 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.494 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -113.43 -5.11 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.921 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.9 t80 -92.65 -36.61 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -51.87 -46.13 92.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.98 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.87 -55.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.666 HG13 HD13 ' A' ' 999' ' ' ILE . 2.1 t -63.24 -49.55 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.95 -38.27 35.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.33 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.42 HG12 HD11 ' A' ' 995' ' ' LEU . 54.2 t -64.32 -49.26 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -59.26 -21.7 54.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.52 -43.97 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . . . -67.85 -43.96 78.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -64.03 -33.86 76.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . 0.89 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -57.04 -57.62 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 18.9 m -52.27 -46.48 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.7 tm? -46.47 -54.78 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 962' ' ' LEU . 5.6 mp -42.57 -60.22 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.16 83.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.926 HG22 HG23 ' A' ' 925' ' ' VAL . 4.1 m -55.44 -45.48 76.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 965' ' ' LEU . 98.8 t -53.35 -45.32 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -49.35 -41.82 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.729 ' O ' HG23 ' A' ' 975' ' ' VAL . 43.2 tt0 -74.49 -23.15 58.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.597 ' HB2' HG21 ' A' ' 925' ' ' VAL . 12.1 t -86.7 -18.07 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.2 OUTLIER -51.75 -53.16 53.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.55 3.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 971' ' ' GLU . 48.4 t -47.82 -26.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.4 OUTLIER -105.37 160.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.494 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -42.66 116.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.1 p 158.24 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.98 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 2.0 t -101.4 -0.43 35.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -62.12 -42.19 98.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.879 ' HB2' HG21 ' A' 1038 ' ' VAL . 11.6 mt-10 -51.12 -39.39 56.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' 1039 ' ' ILE . 27.3 mt -55.66 -51.64 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.22 -51.2 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -28.47 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.442 ' O ' HD12 ' A' 1035 ' ' LEU . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.19 -55.49 21.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -32.46 55.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . 0.496 HD23 ' OD1' ' A' ' 994' ' ' ASP . 0.1 OUTLIER -58.61 -52.92 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 962' ' ' LEU . 13.9 tp -45.63 -60.23 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -54.3 -59.89 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -59.41 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.558 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.0 OUTLIER -57.38 -48.92 77.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 995' ' ' LEU . 0.2 OUTLIER -51.35 -57.11 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.02 -44.35 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -37.57 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 995' ' ' LEU . 1.4 tt -78.31 -45.51 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.666 HD13 HG13 ' A' ' 955' ' ' VAL . 39.9 mm -55.08 -43.47 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 27.5 t30 -66.71 -55.88 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 9.9 mmtm -39.88 -37.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.615 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.1 OUTLIER -75.74 -47.04 27.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' 1000 ' ' ASN . 0.7 OUTLIER -53.42 -23.01 8.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' 1007 ' ' GLN . 17.7 mt -90.72 -48.05 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.694 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -49.25 -25.53 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.428 ' CD ' HG23 ' A' ' 952' ' ' VAL . 3.9 tp60 -67.46 -36.0 80.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.0 OUTLIER -94.99 -28.85 14.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.77 ' CD2' ' CE1' ' A' 1017 ' ' TYR . 30.8 m-85 -92.75 36.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' 1014 ' ' GLN . 2.4 p -125.23 -42.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.86 57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.1 OUTLIER -177.23 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.9 OUTLIER 157.59 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.3 OUTLIER -44.18 -27.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.538 ' HB2' HG23 ' A' 1009 ' ' VAL . 0.5 OUTLIER -35.27 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -36.93 -35.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' 1013 ' ' LEU . 2.8 tt0 -68.43 -60.32 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.77 ' CE1' ' CD2' ' A' 1008 ' ' TYR . 4.4 m-85 -67.95 -13.34 62.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' 1014 ' ' GLN . 4.7 tptt -68.61 -50.37 52.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -40.21 96.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -56.24 -52.97 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -46.23 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -53.32 -54.07 41.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.7 m -38.28 -50.87 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.64 -53.09 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 936' ' ' VAL . . . -47.62 -26.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.16 -57.61 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -71.29 -34.69 70.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.558 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.9 OUTLIER -61.34 -63.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.701 ' CB ' HD11 ' A' ' 937' ' ' ILE . . . -42.43 -41.04 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.0 t -73.15 -51.68 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.58 -55.25 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -55.68 -41.59 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 15.5 mmtt -63.3 -45.34 91.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 18.3 t30 -56.32 -27.83 56.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' 1038 ' ' VAL . 1.0 OUTLIER -63.36 -62.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.856 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -66.6 -37.87 85.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -39.76 -63.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.879 HG21 ' HB2' ' A' ' 983' ' ' GLU . 2.9 p -52.99 -41.49 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.676 HG12 HD11 ' A' ' 984' ' ' ILE . 4.5 mt -59.73 -48.7 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.83 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.2 OUTLIER -63.49 -25.32 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.98 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -77.35 -55.91 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -36.84 -57.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.83 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -52.83 -48.59 66.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.449 ' N ' HD12 ' A' 1044 ' ' LEU . 7.6 tmtm? -39.88 -30.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.494 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 16.8 ttp -91.06 -51.93 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 5.8 t30 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.46 -39.76 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -55.23 -71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.777 ' CG2' HG22 ' A' ' 968' ' ' THR . 86.5 t -44.34 -53.37 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.913 ' CE1' HD21 ' A' 1036 ' ' LEU . 3.9 m-85 -53.06 -49.95 65.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 928' ' ' ASN . 0.7 OUTLIER -65.67 -63.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' A' ' 968' ' ' THR . 34.2 m120 -38.81 -40.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.524 HG23 ' CD1' ' A' ' 965' ' ' LEU . 2.2 t -58.59 -66.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 926' ' ' TYR . 80.8 p -45.05 -54.9 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.83 -32.7 48.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.85 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -74.61 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 934' ' ' LYS . 30.0 m -57.04 -51.78 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 930' ' ' THR . 2.0 mmpt? -42.93 -44.3 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -73.24 -50.38 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.643 HG23 HD12 ' A' ' 932' ' ' LEU . 9.1 t -35.68 -41.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 938' ' ' GLU . 26.5 mt -84.65 -67.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.49 -47.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.496 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.3 ttp -47.07 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 34.1 m -39.51 -34.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -50.97 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.863 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.65 28.19 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.01 -51.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.27 -51.38 34.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.863 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -36.32 127.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.469 ' HA ' ' OE1' ' A' 1006 ' ' GLN . 18.3 Cg_endo -75.05 -13.98 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.42 -20.2 23.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -107.74 -9.63 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.637 ' CE1' HD11 ' A' ' 943' ' ' ILE . 3.5 t80 -90.67 -41.34 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.708 HG23 ' CD ' ' A' 1006 ' ' GLN . 0.9 OUTLIER -44.7 -49.69 26.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -30.08 -50.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.721 HG21 ' HB2' ' A' 1002 ' ' MET . 14.3 t -68.88 -54.76 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 953' ' ' PRO . 5.3 mmtp -39.85 -31.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.45 -57.77 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.455 ' O ' HD12 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -49.99 -44.61 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.71 -37.33 68.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -51.1 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -47.67 -56.75 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 991' ' ' LEU . 1.6 mt -52.26 -49.24 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.29 -57.2 12.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.0 m -56.4 -46.76 79.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.524 ' CD1' HG23 ' A' ' 929' ' ' VAL . 0.8 OUTLIER -49.58 -49.57 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -57.88 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 970' ' ' ASP . . . -55.84 -52.86 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.777 HG22 ' CG2' ' A' ' 925' ' ' VAL . 4.6 m -47.26 -47.41 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 972' ' ' SER . 55.3 t -55.84 -38.1 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.427 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 19.4 t0 -48.58 -45.59 38.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.481 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.5 mt-10 -69.01 -22.74 64.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.729 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.6 OUTLIER -85.81 -26.58 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.1 -51.28 7.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -74.95 -36.51 2.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 976' ' ' LEU . 17.1 t -48.03 -33.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.5 OUTLIER -110.21 160.35 28.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.486 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 162.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.521 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -39.4 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 977' ' ' PRO . 0.3 OUTLIER -48.01 -22.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.731 HG23 ' HB1' ' A' 1042 ' ' ALA . 18.1 p -98.8 30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 11.3 m170 -86.88 -99.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.557 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.473 ' HB3' ' CE ' ' A' ' 986' ' ' MET . 0.0 OUTLIER -54.16 -39.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.454 ' HB3' HG11 ' A' 1038 ' ' VAL . 5.5 mt-10 -54.9 -42.78 72.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 1.3 mt -74.14 -36.05 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.13 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -68.31 -42.27 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.528 ' HB3' HD22 ' A' 1035 ' ' LEU . . . -74.39 -30.85 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -66.42 -54.75 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -53.87 -35.68 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -63.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.707 HD11 HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.33 -49.56 23.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -60.19 -49.93 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.74 -64.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.494 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.6 OUTLIER -56.22 -34.33 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.769 ' C ' HD12 ' A' ' 995' ' ' LEU . 0.1 OUTLIER -54.32 -58.37 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.61 19.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -35.45 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 998' ' ' LEU . 0.6 OUTLIER -67.9 -50.05 58.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.548 HD13 ' CG1' ' A' ' 955' ' ' VAL . 11.1 mm -55.15 -44.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1001 ' ' LYS . 1.1 t-20 -64.49 -52.6 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.0 OUTLIER -39.21 -36.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.721 ' HB2' HG21 ' A' ' 955' ' ' VAL . 7.0 tmm? -74.86 -49.81 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -53.43 -23.27 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.404 ' HB3' ' CE2' ' A' 1008 ' ' TYR . 20.1 mt -90.87 -48.07 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.598 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -61.42 -13.99 24.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.708 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.3 OUTLIER -85.57 -30.3 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -102.31 -4.3 25.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.833 ' O ' HG22 ' A' 1011 ' ' THR . 2.8 m-85 -105.0 -20.88 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' 1009 ' ' VAL . 1.6 p -58.84 -39.32 77.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -29.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.833 HG22 ' O ' ' A' 1008 ' ' TYR . 8.9 t -105.63 -142.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.535 ' N ' HG23 ' A' 1011 ' ' THR . 37.6 m -113.16 -21.9 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.981 HD12 ' CE2' ' A' 1017 ' ' TYR . 0.2 OUTLIER -44.12 -26.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' 1018 ' ' LYS . 1.0 OUTLIER -37.41 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' 1014 ' ' GLN . 2.9 pt20 -37.47 -37.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.77 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.6 OUTLIER -69.53 -61.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.981 ' CE2' HD12 ' A' 1013 ' ' LEU . 14.1 m-85 -60.6 -19.96 59.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.436 ' HE3' ' CD1' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -68.1 -43.34 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -37.91 89.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -55.95 -47.36 77.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -54.37 -47.84 72.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' 1022 ' ' LEU . 2.6 tm? -50.86 -47.04 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.3 m -47.3 -52.01 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.99 99.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.426 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -56.12 -30.13 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 67.5 t60 -72.3 -54.83 8.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.66 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 994' ' ' ASP . 10.6 mt -56.97 -66.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.52 -44.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' 1033 ' ' LYS . 13.6 t -69.86 -55.97 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -41.02 -56.29 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.449 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -59.77 -36.81 77.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.2 OUTLIER -61.67 -66.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.696 ' O ' HG23 ' A' 1038 ' ' VAL . 4.6 m-20 -38.5 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 987' ' ' ALA . 0.6 OUTLIER -59.07 -69.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.913 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -71.53 -44.22 65.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' 1033 ' ' LYS . 6.3 t0 -41.73 -41.48 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' 1034 ' ' ASN . 49.0 t -71.97 -40.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.802 HG23 ' HG ' ' A' ' 976' ' ' LEU . 22.2 mt -55.46 -56.81 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.27 -44.71 16.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.57 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.5 mt-30 -75.49 -24.85 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.731 ' HB1' HG23 ' A' ' 980' ' ' THR . . . -75.32 -51.38 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -47.6 -59.83 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.0 pp -54.19 -34.44 60.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.492 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -52.31 -22.55 4.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' 1047 ' ' ILE . 0.2 OUTLIER -92.21 -38.93 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' 1046 ' ' MET . 5.3 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' A' ' 926' ' ' TYR . 19.1 t-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 925' ' ' VAL . 0.4 OUTLIER -75.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -41.46 -31.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 929' ' ' VAL . 21.1 t -78.16 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 1.167 ' CD1' HD11 ' A' 1036 ' ' LEU . 4.7 m-30 -54.22 -28.49 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.41 -64.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.95 -36.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.693 HG13 ' HB1' ' A' 1032 ' ' ALA . 86.9 t -60.04 -65.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 934' ' ' LYS . 66.6 p -56.58 -63.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.365 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.06 -54.23 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.776 HD22 HD13 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -64.26 -48.89 74.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.4 t -60.09 -33.68 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.3 OUTLIER -57.99 -39.32 77.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.74 -40.94 32.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.456 HG23 HD12 ' A' ' 932' ' ' LEU . 2.7 t -39.19 -45.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.3 mp -84.83 -65.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -34.91 -41.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 942' ' ' LYS . 31.9 ttm -46.72 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 16.7 t -44.28 -31.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -43.33 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.869 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -111.9 27.6 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.0 OUTLIER -94.38 -50.41 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -46.61 -51.87 34.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.0 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.869 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -35.79 126.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.469 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.97 177.57 8.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -75.0 -16.53 20.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -17.31 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.235 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.42 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -110.19 -3.62 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 12.6 t80 -93.73 -42.86 8.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -51.77 -46.51 91.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.97 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.454 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 5.2 ttp -37.04 -43.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.594 HG21 ' CB ' ' A' 1002 ' ' MET . 11.6 t -71.5 -56.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.75 -43.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -58.14 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 961' ' ' ALA . 50.9 t -48.08 -56.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.18 -38.5 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 958' ' ' VAL . . . -64.82 -43.04 94.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.787 ' CD1' HD11 ' A' ' 991' ' ' LEU . 3.6 mm? -60.04 -46.5 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 963' ' ' ARG . 0.0 OUTLIER -59.73 -53.41 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 968' ' ' THR . 6.9 m -55.46 -34.92 64.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 1.029 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.0 tt -60.34 -41.54 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.429 HD23 ' OE1' ' A' ' 988' ' ' GLN . 1.4 tt -56.05 -43.96 78.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -58.96 -66.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.534 ' HB ' HG22 ' A' ' 925' ' ' VAL . 76.2 p -40.51 -43.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 965' ' ' LEU . 58.6 t -53.62 -48.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 967' ' ' ALA . 28.1 t70 -48.62 -37.07 17.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.762 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.1 mt-10 -79.12 -24.46 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.485 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.1 OUTLIER -86.28 -17.35 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.554 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.2 OUTLIER -53.79 -53.68 54.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.5 Cg_endo -74.92 -33.76 4.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 971' ' ' GLU . 42.5 t -48.95 -26.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.986 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.3 OUTLIER -107.69 155.47 39.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.7 5.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.61 108.57 10.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.82 -34.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.659 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 5.1 t -111.37 53.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -83.03 -92.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 985' ' ' GLU . 27.0 ttm180 -43.93 -54.7 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.767 ' CB ' HG11 ' A' 1038 ' ' VAL . 24.0 mt-10 -40.15 -48.24 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.999 HD11 ' CG1' ' A' 1039 ' ' ILE . 0.4 OUTLIER -63.78 -44.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -62.58 -38.55 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 5.7 mtp -71.43 -23.69 61.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -79.64 -20.82 45.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 965' ' ' LEU . 1.7 mm-40 -75.88 -46.86 27.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -41.72 83.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.787 HD11 ' CD1' ' A' ' 962' ' ' LEU . 1.5 tt -62.59 -54.01 46.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -61.6 -35.51 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -66.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.571 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.4 OUTLIER -52.6 -34.98 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.5 OUTLIER -54.99 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.18 -53.11 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.55 -35.12 73.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 995' ' ' LEU . 7.5 tt -69.82 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.478 HD12 ' CG1' ' A' ' 955' ' ' VAL . 19.3 mm -60.68 -54.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.1 t30 -52.71 -26.65 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.594 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -50.16 -23.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' 1002 ' ' MET . 3.1 mtpt -70.79 -52.36 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.03 -41.42 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.629 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -44.31 -44.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 32.6 mm-40 -47.2 -33.44 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -37.46 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.593 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 55.3 m-85 -87.22 40.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' 1005 ' ' ALA . 2.6 p -129.1 -44.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.67 ' C ' HG22 ' A' 1011 ' ' THR . 0.0 OUTLIER -63.02 71.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.67 HG22 ' C ' ' A' 1010 ' ' MET . 0.0 OUTLIER 164.77 -56.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.8 OUTLIER 155.63 -23.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -39.89 -29.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' 1012 ' ' SER . 33.5 tt0 -37.49 -58.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -36.83 -40.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.8 OUTLIER -66.88 -68.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.593 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 3.9 m-85 -55.01 -24.4 24.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.441 ' O ' ' NZ ' ' A' 1018 ' ' LYS . 0.2 OUTLIER -59.9 -50.78 72.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . 0.426 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -58.48 -36.55 73.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -62.18 -55.32 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -41.17 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' 1022 ' ' LEU . 1.9 tm? -58.32 -44.19 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 25.2 m -47.96 -49.77 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.14 83.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -53.85 -34.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 4.8 t60 -69.28 -55.86 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.18 -34.68 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 994' ' ' ASP . 9.4 mt -56.08 -66.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.18 -40.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.2 t -72.89 -52.0 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -42.21 -58.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.693 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -55.99 -35.46 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.4 OUTLIER -67.1 -60.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.483 ' O ' HG23 ' A' 1038 ' ' VAL . 11.3 t-20 -41.61 -31.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 987' ' ' ALA . 6.1 tt -61.75 -70.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 1.167 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.6 -39.86 81.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.03 -56.01 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.767 HG11 ' CB ' ' A' ' 983' ' ' GLU . 80.2 t -57.38 -37.93 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.999 ' CG1' HD11 ' A' ' 984' ' ' ILE . 4.0 mt -64.06 -42.67 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.65 -38.92 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.62 ' HA ' HD21 ' A' 1044 ' ' LEU . 14.0 mt-30 -74.5 -26.08 59.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.986 ' HB3' HD12 ' A' ' 976' ' ' LEU . . . -81.31 -43.38 19.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.552 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 3.3 ttm180 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.1 pp -62.61 -38.26 89.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.548 ' N ' HD12 ' A' 1044 ' ' LEU . 0.3 OUTLIER -47.93 -24.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.2 OUTLIER -85.98 -29.9 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.7 mm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -37.25 60.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -53.99 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 972' ' ' SER . 91.5 t -49.13 -61.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.984 ' CZ ' HD21 ' A' 1036 ' ' LEU . 5.3 m-85 -52.52 -30.95 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.56 -47.66 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 932' ' ' LEU . 0.9 OUTLIER -59.02 -58.44 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 1.01 ' O ' HG22 ' A' ' 933' ' ' VAL . 3.1 t -42.27 -53.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.5 p -61.08 -55.75 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -55.24 -25.58 40.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.811 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -81.66 -63.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 929' ' ' VAL . 6.1 m -57.68 -31.01 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.3 mmmt -63.07 -46.44 87.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -72.47 -45.25 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.591 HG23 HD12 ' A' ' 932' ' ' LEU . 3.5 t -40.56 -49.95 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 938' ' ' GLU . 66.9 mt -73.86 -62.74 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -34.03 -45.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.9 ttp -44.59 -69.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.879 ' CB ' HD23 ' A' 1022 ' ' LEU . 7.9 p -41.75 -37.27 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.6 t -60.83 -43.72 97.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.841 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -112.89 30.12 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.657 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.97 -50.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.6 OUTLIER -43.76 -53.61 12.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.02 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.36 127.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.455 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.04 177.02 9.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -74.97 -16.34 20.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.18 -22.08 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.433 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -104.19 -3.95 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.728 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 10.7 t80 -93.0 -42.28 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -49.53 -47.08 78.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.46 ' HE3' ' HD1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -33.99 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.494 ' CG1' HD13 ' A' ' 999' ' ' ILE . 2.2 t -51.84 -52.02 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -38.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.4 OUTLIER -60.45 -54.6 43.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 14.2 t -40.07 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.93 93.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -54.9 -45.8 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -53.15 -47.66 68.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 1.0 HD22 ' CD2' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -55.88 -54.22 47.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -52.94 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.902 ' O ' HG23 ' A' ' 968' ' ' THR . 2.0 m -64.88 -33.74 76.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.4 OUTLIER -57.28 -46.64 82.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 962' ' ' LEU . 7.0 mp -54.49 -52.46 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.52 33.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.902 HG23 ' O ' ' A' ' 964' ' ' THR . 62.6 p -54.35 -35.9 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 965' ' ' LEU . 45.9 t -63.16 -44.04 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t70 -49.56 -40.27 37.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 975' ' ' VAL . 28.3 mt-10 -78.01 -22.36 49.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.872 ' HB2' HG21 ' A' ' 925' ' ' VAL . 32.6 t -85.66 -24.34 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.813 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -47.61 -52.62 36.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 971' ' ' GLU . 7.0 t -47.11 -28.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.654 ' CD1' HG23 ' A' 1039 ' ' ILE . 1.9 mm? -107.45 149.51 38.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.4 Cg_endo -74.97 67.85 5.83 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . 36.13 -151.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -57.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.754 HG23 HD12 ' A' ' 984' ' ' ILE . 1.4 t -76.19 -5.87 48.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.813 ' CD2' HD22 ' A' ' 973' ' ' LEU . 23.5 m170 -50.12 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.22 -68.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.752 ' HB2' HG11 ' A' 1038 ' ' VAL . 21.5 mt-10 -55.5 -39.9 71.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.754 HD12 HG23 ' A' ' 980' ' ' THR . 9.9 mt -58.31 -45.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.56 -24.43 56.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.755 ' HB3' HD13 ' A' 1035 ' ' LEU . . . -73.08 -29.37 62.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.454 ' NE2' HG21 ' A' ' 969' ' ' VAL . 2.1 mm-40 -73.63 -44.55 56.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -31.43 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.72 ' HG ' HD21 ' A' ' 962' ' ' LEU . 53.5 tp -42.47 -48.57 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 995' ' ' LEU . 0.5 OUTLIER -61.62 -62.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.82 -54.36 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' 1028 ' ' LEU . 1.1 m-20 -63.17 -29.85 71.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 1.0 ' CD2' HD22 ' A' ' 962' ' ' LEU . 1.1 tp -68.63 -57.95 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.45 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.03 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 995' ' ' LEU . 8.3 tt -72.5 -42.22 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.494 HD13 ' CG1' ' A' ' 955' ' ' VAL . 4.6 mm -55.51 -46.84 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' 1001 ' ' LYS . 66.1 t30 -59.69 -54.6 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' 1000 ' ' ASN . 16.7 mmtt -39.82 -33.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 2.4 ttp -79.9 -54.48 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -25.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' 1002 ' ' MET . 14.8 mt -86.47 -54.53 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.728 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -45.05 -40.51 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' 1009 ' ' VAL . 3.8 tp-100 -46.83 -42.33 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -98.77 -24.74 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.622 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 10.0 m-85 -91.54 30.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' 1010 ' ' MET . 11.3 p -118.97 -52.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.491 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -54.06 -40.99 67.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.929 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.707 HG23 ' H ' ' A' 1012 ' ' SER . 0.0 OUTLIER -50.84 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.707 ' H ' HG23 ' A' 1011 ' ' THR . 1.4 p 157.14 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.07 56.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.485 ' NE2' HG23 ' A' 1009 ' ' VAL . 2.4 tp-100 -86.36 -76.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -39.87 -29.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -72.15 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 4.6 m-85 -66.86 -14.85 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -44.43 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.59 -33.67 76.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.18 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.2 ptm -56.8 -24.6 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.879 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.1 tm? -71.17 -52.98 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -43.08 -44.76 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.24 60.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.95 -29.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.91 -59.97 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.65 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.81 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' A' ' 994' ' ' ASP . 0.6 OUTLIER -59.03 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.785 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -41.39 -42.52 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 14.6 t -69.83 -44.14 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 1028 ' ' LEU . 39.6 t0 -45.71 -55.85 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.431 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.75 -37.36 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 3.1 tttt -66.79 -43.94 82.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' 1038 ' ' VAL . 13.2 t-20 -54.19 -40.08 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 987' ' ' ALA . 3.3 tp -54.35 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.984 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.61 -39.51 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -41.17 -48.6 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 983' ' ' GLU . 41.9 t -64.98 -39.39 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.654 HG23 ' CD1' ' A' ' 976' ' ' LEU . 8.5 mt -59.68 -50.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 10.5 t0 -46.03 -43.66 14.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' 1044 ' ' LEU . 15.8 tt0 -61.95 -33.56 74.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -79.24 -29.3 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.82 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' 1045 ' ' LYS . 0.0 OUTLIER -57.3 -27.62 62.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.815 ' N ' HD22 ' A' 1044 ' ' LEU . 0.7 OUTLIER -51.79 -22.04 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 13.3 ttp -78.77 -46.13 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -22.95 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -63.21 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.733 HG22 HG22 ' A' ' 968' ' ' THR . 97.3 t -59.24 -38.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.861 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.5 m-85 -70.85 -18.82 62.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.4 OUTLIER -75.03 -69.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.515 HD21 HG21 ' A' ' 968' ' ' THR . 28.2 m-20 -41.49 -45.63 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 925' ' ' VAL . 54.5 t -52.45 -57.24 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 931' ' ' GLY . 1.3 p -67.64 -60.78 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -36.69 -48.83 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.819 HD22 HD22 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -71.74 -50.12 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.5 t -50.94 -41.27 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 23.7 mttt -61.54 -48.32 81.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -59.65 -48.25 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' 1025 ' ' ALA . 2.4 t -38.51 -47.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.73 HD11 ' HB2' ' A' 1029 ' ' ALA . 2.6 mp -84.02 -62.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -33.09 -49.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 943' ' ' ILE . 2.9 ttp -44.6 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.553 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -38.68 -36.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.2 m -61.0 -50.44 73.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.899 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -106.92 28.71 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 1.123 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.53 -51.86 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.7 mt-30 -46.04 -51.47 31.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.99 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.899 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.46 130.51 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.422 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.01 176.17 10.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.98 -13.8 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.24 -23.01 22.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -103.92 -4.85 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 1.123 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.1 t80 -94.12 -41.14 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.599 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -50.72 -46.93 86.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.1 Cg_endo -75.02 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -34.95 -66.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.989 HG21 ' HB2' ' A' 1002 ' ' MET . 0.9 OUTLIER -54.87 -52.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -30.77 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.61 69.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.03 -46.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.98 94.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -57.36 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.72 -47.56 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.819 HD22 HD22 ' A' ' 932' ' ' LEU . 0.3 OUTLIER -57.32 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -55.0 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 17.7 m -62.02 -42.58 99.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.693 HD22 HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -49.46 -48.04 47.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 962' ' ' LEU . 2.7 mp -52.02 -60.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.23 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.733 HG22 HG22 ' A' ' 925' ' ' VAL . 28.2 m -52.38 -40.15 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 965' ' ' LEU . 16.7 t -63.69 -35.75 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.408 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.2 t70 -52.32 -40.41 61.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 975' ' ' VAL . 11.6 mt-10 -71.8 -20.71 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.594 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.19 -30.68 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.511 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -39.77 -51.6 5.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.21 3.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 971' ' ' GLU . 36.0 t -47.25 -27.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.629 ' CD1' HG23 ' A' 1039 ' ' ILE . 1.4 mm? -109.87 158.78 33.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -164.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.25 174.99 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 21.94 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.755 HG23 ' HB2' ' A' 1042 ' ' ALA . 0.2 OUTLIER -114.89 -56.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.537 ' CD2' ' N ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -48.52 -23.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.582 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 980' ' ' THR . 0.2 OUTLIER -68.34 -79.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.491 ' HB2' HG11 ' A' 1038 ' ' VAL . 42.3 mt-10 -55.23 -21.15 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.668 HD11 ' CG1' ' A' 1039 ' ' ILE . 2.4 mt -73.34 -38.34 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.5 OUTLIER -62.89 -41.19 99.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.5 -26.47 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -81.32 -24.83 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.76 -44.12 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -37.62 87.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -49.01 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 962' ' ' LEU . 11.8 tp -54.82 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.1 t-20 -49.81 -42.25 46.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.16 -69.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.651 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.2 m-20 -52.69 -36.11 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 999' ' ' ILE . 0.2 OUTLIER -54.44 -59.21 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -47.87 -50.6 25.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -59.71 -30.31 68.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 998' ' ' LEU . 0.1 OUTLIER -73.61 -47.46 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.7 HG12 HD12 ' A' ' 995' ' ' LEU . 48.7 mm -49.51 -49.19 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -66.12 -36.74 83.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.79 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.989 ' HB2' HG21 ' A' ' 955' ' ' VAL . 1.6 ttp -81.13 -38.86 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.62 -53.72 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' 1005 ' ' ALA . 4.6 pp -64.44 -35.87 82.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.597 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -71.77 -6.65 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -17.31 17.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -38.41 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.793 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.1 m-85 -72.05 -17.87 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.785 HG13 ' H ' ' A' 1010 ' ' MET . 2.2 p -40.15 -67.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.785 ' H ' HG13 ' A' 1009 ' ' VAL . 0.4 OUTLIER -43.62 -59.48 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 111.052 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.58 ' O ' ' CB ' ' A' 1012 ' ' SER . 90.1 m -36.66 -79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.3 m 152.72 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' 1013 ' ' LEU . 0.9 OUTLIER -61.78 -12.16 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' 1013 ' ' LEU . 17.7 tt0 -34.68 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -41.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' 1013 ' ' LEU . 7.9 tt0 -64.52 -51.42 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 25.7 m-85 -68.92 -27.16 65.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1014 ' ' GLN . 20.7 mmtm -65.37 -43.55 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.61 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -51.01 -51.98 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.446 ' SD ' HD23 ' A' ' 998' ' ' LEU . 2.3 tmm? -47.82 -57.11 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' 1022 ' ' LEU . 2.9 tm? -41.87 -49.41 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -46.29 -51.51 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.26 96.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -50.25 -35.01 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.59 -55.86 17.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.611 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.41 81.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.651 HD21 ' CB ' ' A' ' 994' ' ' ASP . 8.8 mt -56.08 -67.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.73 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.95 -43.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' 1033 ' ' LYS . 39.0 t -69.23 -49.43 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' 1028 ' ' LEU . 67.2 m-20 -43.88 -64.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.44 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -54.85 -25.5 29.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.1 OUTLIER -72.26 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -40.07 -31.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' 1033 ' ' LYS . 3.2 tp -61.97 -70.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.861 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.74 -38.81 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.42 -43.08 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.491 HG11 ' HB2' ' A' ' 983' ' ' GLU . 24.6 t -71.16 -33.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.668 ' CG1' HD11 ' A' ' 984' ' ' ILE . 25.9 mt -63.28 -48.94 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -45.04 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.595 ' HA ' HD21 ' A' 1044 ' ' LEU . 6.1 mt-30 -73.83 -20.74 60.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.234 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.755 ' HB2' HG23 ' A' ' 980' ' ' THR . . . -81.36 -55.17 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -45.04 -42.71 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' 1045 ' ' LYS . 4.4 pp -72.06 -33.04 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.638 ' N ' HD12 ' A' 1044 ' ' LEU . 5.7 tmtm? -50.71 -21.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 26.3 ttp -91.51 -26.14 18.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.6 mm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -38.12 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 1.7 tptp -60.04 -46.91 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 968' ' ' THR . 4.2 t -63.82 -41.04 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.926 ' CE1' HD21 ' A' 1036 ' ' LEU . 4.5 m-30 -70.37 -15.43 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 930' ' ' THR . 9.4 mm-40 -82.46 -66.61 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 924' ' ' LYS . 9.1 m120 -40.67 -41.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.78 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.509 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.7 p -47.79 -48.83 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -59.62 -23.92 59.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -79.82 -58.05 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.627 ' CG1' ' HB3' ' A' 1032 ' ' ALA . 15.7 m -65.49 -27.74 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -67.18 -38.57 85.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -74.54 -55.15 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' 1028 ' ' LEU . 0.4 OUTLIER -39.34 -35.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 938' ' ' GLU . 20.6 mt -85.02 -66.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -32.69 -54.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 8.7 ttm -41.21 -65.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.841 ' CB ' HD23 ' A' 1022 ' ' LEU . 18.8 p -39.98 -38.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -60.53 -46.7 89.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.86 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -109.39 28.85 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.546 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.3 OUTLIER -94.93 -52.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.24 -54.45 5.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.97 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.86 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -30.75 129.66 0.26 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.08 -13.98 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.64 -30.36 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.471 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -93.52 -5.79 48.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.9 -43.86 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.15 -47.94 55.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.06 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -34.17 -51.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.881 HG21 ' HB2' ' A' 1002 ' ' MET . 18.6 t -66.67 -47.27 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -45.82 -39.77 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 960' ' ' LEU . 7.0 tt0 -59.74 -61.54 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 83.1 t -41.68 -34.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.9 83.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -55.36 -40.95 71.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -57.29 -41.43 79.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.584 HD11 ' HG ' ' A' ' 991' ' ' LEU . 1.5 mm? -58.94 -51.64 69.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -58.51 5.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 55.5 m -60.09 -46.07 90.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 1.064 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.2 tm? -47.47 -46.8 27.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 962' ' ' LEU . 0.3 OUTLIER -51.65 -64.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.09 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.526 HG22 HG22 ' A' ' 925' ' ' VAL . 1.8 m -51.17 -37.03 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 1.064 HG23 ' O ' ' A' ' 965' ' ' LEU . 61.4 t -65.26 -40.71 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.897 ' HA ' HD12 ' A' ' 973' ' ' LEU . 4.2 t70 -51.64 -32.52 29.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 975' ' ' VAL . 20.5 mt-10 -73.39 -23.09 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.57 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.0 OUTLIER -85.53 -28.86 24.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.897 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.2 OUTLIER -40.44 -51.58 6.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 51.4 t -53.56 -34.54 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.865 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.2 mm? -109.03 157.39 37.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.449 ' O ' ' NZ ' ' A' 1045 ' ' LYS . . . -69.63 166.01 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 76.97 31.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.637 ' HB ' HD12 ' A' ' 984' ' ' ILE . 0.6 OUTLIER -116.85 -60.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.873 ' HB3' HD21 ' A' ' 973' ' ' LEU . 1.6 p80 -44.88 -49.03 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -48.55 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.516 ' CB ' HG11 ' A' 1038 ' ' VAL . 7.4 mt-10 -51.69 -43.81 62.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.637 HD12 ' HB ' ' A' ' 980' ' ' THR . 84.3 mt -57.52 -32.88 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -64.85 -41.67 95.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.0 mtm -71.99 -18.44 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.94 -24.12 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -74.84 -40.31 61.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -37.21 67.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -41.57 77.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' A' ' 962' ' ' LEU . 8.8 tp -66.71 -60.11 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.12 -48.52 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 3.3 t -47.09 -71.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.583 ' HB3' HD21 ' A' 1028 ' ' LEU . 5.7 m-20 -50.96 -36.64 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.534 HD11 HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -55.11 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.03 -51.47 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.62 -43.06 84.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.787 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.94 -44.85 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 33.1 mm -52.14 -45.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' 1001 ' ' LYS . 11.3 t-20 -71.26 -46.48 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' 1000 ' ' ASN . 14.3 mmtp -39.02 -36.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.881 ' HB2' HG21 ' A' ' 955' ' ' VAL . 13.4 tmm? -75.93 -55.52 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -49.6 -30.42 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' 1007 ' ' GLN . 21.7 mt -82.66 -61.81 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' 1009 ' ' VAL . . . -44.65 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.414 ' HG2' ' CB ' ' A' ' 948' ' ' PRO . 0.1 OUTLIER -52.12 -36.38 51.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1004 ' ' LEU . 6.3 tt0 -97.78 -31.64 12.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.637 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 50.8 m-85 -88.46 30.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.61 HG23 ' HG3' ' A' 1014 ' ' GLN . 7.5 p -121.01 -49.27 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.592 ' HE2' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.84 51.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.592 HG23 ' HE2' ' A' 1010 ' ' MET . 1.1 p -145.86 -66.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 5.1 p 167.87 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.613 HD12 ' CD1' ' A' 1017 ' ' TYR . 0.8 OUTLIER -81.62 51.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.61 ' HG3' HG23 ' A' 1009 ' ' VAL . 8.4 tt0 -76.63 -65.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -47.64 -24.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -68.23 -59.74 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -74.22 -30.66 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.75 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -48.68 78.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -43.07 -53.64 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -44.72 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.841 HD23 ' CB ' ' A' ' 940' ' ' SER . 2.4 tm? -56.14 -47.82 77.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.7 m -42.61 -54.71 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.4 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.8 93.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -48.39 -37.67 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -57.06 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.16 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.787 ' CD1' HD13 ' A' ' 998' ' ' LEU . 7.6 mt -56.21 -65.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -39.5 -40.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 14.9 t -71.81 -52.08 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.438 ' OD2' HD23 ' A' 1028 ' ' LEU . 72.1 m-20 -43.38 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.627 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.17 -32.99 62.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -66.42 -50.44 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.66 -23.28 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.26 -68.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.926 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.39 -40.54 96.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.6 -51.32 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.516 HG11 ' CB ' ' A' ' 983' ' ' GLU . 11.1 t -62.3 -38.53 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.865 HG23 ' HG ' ' A' ' 976' ' ' LEU . 12.2 mt -64.35 -41.71 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -39.14 62.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.546 ' HA ' HD21 ' A' 1044 ' ' LEU . 1.9 mt-30 -77.85 -18.54 56.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.633 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -84.36 -44.7 13.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -56.99 -39.81 75.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' 1045 ' ' LYS . 4.5 pp -74.25 -32.0 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -50.16 -21.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' 1044 ' ' LEU . 21.0 ttp -91.09 -25.66 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.5 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -42.67 58.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 0.5 OUTLIER -41.02 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.953 HG21 ' HB2' ' A' ' 972' ' ' SER . 65.1 t -48.76 -62.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.712 ' CE1' ' CD2' ' A' 1036 ' ' LEU . 0.2 OUTLIER -38.87 -62.59 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 928' ' ' ASN . 2.1 mm-40 -42.57 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 927' ' ' GLU . 14.1 m120 -39.58 -65.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' 1036 ' ' LEU . 84.7 t -39.93 -59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 2.0 m -55.34 -61.8 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 932' ' ' LEU . . . -43.88 -73.96 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -37.8 -39.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.743 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -69.98 -56.3 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 931' ' ' GLY . 0.2 OUTLIER -52.32 -21.45 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -85.12 -49.61 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 933' ' ' VAL . 0.3 OUTLIER -39.77 -38.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.7 mt -83.91 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.88 -47.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 943' ' ' ILE . 28.3 ttm -49.14 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.554 ' CB ' HD23 ' A' 1022 ' ' LEU . 4.9 m -41.57 -36.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.93 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.89 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -111.17 28.1 9.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -95.06 -49.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.23 -53.08 24.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -35.39 124.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 176.84 9.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.451 ' O ' ' NE2' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.99 -14.36 21.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 -14.78 36.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.499 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 3.7 tt0 -114.66 -9.53 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.681 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 8.7 t80 -89.62 -37.7 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.847 HG23 ' NE2' ' A' 1006 ' ' GLN . 1.0 OUTLIER -48.83 -48.02 71.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -29.06 -65.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.609 ' CG1' HD13 ' A' ' 999' ' ' ILE . 2.5 t -58.86 -47.96 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.56 -39.65 35.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -41.03 87.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 995' ' ' LEU . 97.8 t -57.89 -36.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.75 -44.96 91.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -42.27 91.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.38 95.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 966' ' ' LEU . 0.0 OUTLIER -61.95 -46.98 86.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . 0.438 ' N ' HD23 ' A' ' 962' ' ' LEU . 3.3 mtt180 -50.8 -51.44 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.824 ' O ' HG23 ' A' ' 968' ' ' THR . 2.9 m -64.97 -35.06 79.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.872 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.9 OUTLIER -56.51 -38.56 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.8 mp -62.29 -50.48 71.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.87 -57.58 12.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 964' ' ' THR . 56.6 p -51.39 -39.96 58.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 965' ' ' LEU . 15.8 t -56.35 -46.57 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -49.83 -41.34 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 975' ' ' VAL . 2.5 tt0 -73.69 -22.08 60.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.953 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.2 OUTLIER -85.23 -24.01 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.1 OUTLIER -46.34 -53.01 25.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -31.79 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 971' ' ' GLU . 11.1 t -47.12 -32.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.789 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.0 OUTLIER -110.12 154.31 42.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.455 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.5 Cg_endo -74.95 155.26 43.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -57.18 107.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.46 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.599 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 3.4 t -110.83 10.2 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -52.74 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -44.35 -58.7 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 987' ' ' ALA . 1.1 mt-10 -49.88 -47.19 52.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.497 HD11 HG12 ' A' 1039 ' ' ILE . 4.3 mt -51.8 -50.59 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -44.05 87.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -26.58 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -70.78 -26.69 63.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.489 ' HG2' HD11 ' A' 1035 ' ' LEU . 4.6 mt-30 -74.56 -48.91 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.97 -34.65 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -56.39 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 54.4 tp -51.09 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -43.47 -53.05 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.661 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.4 m-20 -50.24 -40.96 49.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 958' ' ' VAL . 0.3 OUTLIER -54.27 -60.82 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.83 -53.36 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.69 -44.26 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.728 HD13 ' CD1' ' A' 1028 ' ' LEU . 1.9 tt -63.85 -43.99 94.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.609 HD13 ' CG1' ' A' ' 955' ' ' VAL . 14.2 mm -57.33 -48.15 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.44 -46.59 79.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -45.78 -45.02 14.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.519 ' HB2' HG21 ' A' ' 955' ' ' VAL . 4.9 ttp -64.3 -43.42 94.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.02 -27.73 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 43.9 mt -81.42 -58.78 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.681 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -40.84 -43.45 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.847 ' NE2' HG23 ' A' ' 952' ' ' VAL . 1.1 tp60 -41.91 -43.51 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -34.14 10.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' 1017 ' ' TYR . 37.8 m-85 -87.72 39.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' 1014 ' ' GLN . 2.6 p -112.4 -45.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.537 ' O ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -86.98 57.98 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.537 HG23 ' O ' ' A' 1010 ' ' MET . 1.2 p -155.07 20.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1014 ' ' GLN . 0.9 OUTLIER 73.34 -54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -38.66 -26.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' 1012 ' ' SER . 0.4 OUTLIER -30.88 -69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.1 OUTLIER -36.62 -49.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' 1013 ' ' LEU . 6.9 tp10 -65.39 -59.24 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.705 ' CZ ' ' CG ' ' A' 1008 ' ' TYR . 0.4 OUTLIER -45.59 -37.29 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.48 ' CD ' ' HG2' ' A' 1014 ' ' GLN . 0.6 OUTLIER -59.72 -45.41 92.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 -40.83 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -53.75 -58.21 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -47.49 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' 1022 ' ' LEU . 1.9 tm? -52.77 -53.55 46.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.5 m -39.4 -51.95 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.69 76.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -44.85 -37.34 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -56.73 15.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.728 ' CD1' HD13 ' A' ' 998' ' ' LEU . 11.6 mt -58.59 -66.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.743 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -38.29 -38.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.7 t -76.82 -49.73 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1028 ' ' LEU . 35.8 t0 -44.61 -58.92 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.563 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -58.38 -33.35 69.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' 1037 ' ' ASP . 0.0 OUTLIER -66.26 -57.36 7.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 12.4 t30 -46.88 -30.81 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.846 ' O ' HG12 ' A' 1038 ' ' VAL . 5.4 tt -59.25 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.712 ' CD2' ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -66.78 -35.4 79.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' 1033 ' ' LYS . 30.5 t0 -47.78 -56.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.846 HG12 ' O ' ' A' 1035 ' ' LEU . 11.0 p -58.52 -32.12 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.789 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.9 mt -67.14 -45.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 7.5 t0 -48.62 -39.27 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.619 ' HA ' HD21 ' A' 1044 ' ' LEU . 6.5 mt-30 -72.82 -26.89 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.44 -45.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -50.99 -47.56 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' 1045 ' ' LYS . 4.3 pp -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.773 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.55 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.5 OUTLIER -80.54 -55.47 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 924' ' ' LYS . 0.0 OUTLIER -75.53 -32.08 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 923' ' ' ASP . 2.3 ttmt -60.77 -58.15 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.885 ' O ' HG23 ' A' ' 929' ' ' VAL . 86.4 t -58.63 -41.11 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 1.082 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.2 m-85 -68.26 -19.77 64.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.7 OUTLIER -76.11 -68.19 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -44.13 -38.46 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 925' ' ' VAL . 78.1 t -58.07 -54.39 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' GLY . 4.9 p -73.62 -59.67 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.64 -49.01 0.99 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -71.52 -50.35 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -52.14 -35.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 0.1 OUTLIER -61.56 -47.73 84.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -65.05 -44.68 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.423 HG23 HD12 ' A' ' 932' ' ' LEU . 14.4 t -39.9 -45.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 938' ' ' GLU . 1.7 mp -84.46 -63.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.4 -43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 942' ' ' LYS . 1.4 ttp -49.0 -71.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.555 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.9 t -40.04 -31.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.946 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.59 71.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.852 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -104.38 23.44 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.956 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.47 -51.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.31 -54.54 5.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.98 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.852 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.01 127.95 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.463 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -75.0 177.18 8.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.503 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.98 -20.15 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.81 -17.73 40.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.466 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -109.94 -2.87 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.956 ' CE1' HD11 ' A' ' 943' ' ' ILE . 6.5 t80 -92.31 -36.17 13.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.58 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -52.49 -47.36 93.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.505 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -30.71 -53.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.811 HG21 ' CB ' ' A' 1002 ' ' MET . 51.3 t -65.76 -52.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 953' ' ' PRO . 1.5 mmtt -40.14 -37.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -60.08 3.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -45.31 -42.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.467 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -56.6 -48.04 79.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -43.99 74.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.07 81.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.969 HD13 HD13 ' A' ' 995' ' ' LEU . 1.6 mt -60.69 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.93 -55.72 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 -35.76 73.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.8 tm? -53.7 -53.92 45.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 8.2 mp -46.64 -55.61 7.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.8 87.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.529 HG22 HG22 ' A' ' 925' ' ' VAL . 90.1 m -52.23 -47.1 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 965' ' ' LEU . 86.8 t -60.11 -38.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 9.0 t70 -50.08 -37.4 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.505 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.1 mt-10 -77.22 -23.29 51.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.695 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.2 OUTLIER -85.76 -28.56 24.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.07 -50.92 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.94 -36.19 2.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 15.1 t -47.37 -30.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.738 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.3 mm? -109.08 159.86 29.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 979' ' ' SER . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -66.28 73.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 977' ' ' PRO . 19.3 t -147.6 -43.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.068 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.889 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 1.4 t -91.32 -7.37 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -54.01 -57.75 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.634 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.08 -66.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.34 -40.25 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.707 HD11 ' CG1' ' A' 1039 ' ' ILE . 14.0 mt -55.18 -49.06 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -23.0 61.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.62 69.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -62.18 -54.49 40.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -57.66 -26.62 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -53.65 35.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 11.2 tp -57.42 -50.63 72.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.428 ' HA ' HD23 ' A' ' 995' ' ' LEU . 0.9 OUTLIER -49.29 -59.52 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 992' ' ' ASN . 44.6 t -38.73 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' 1028 ' ' LEU . 12.7 t0 -53.59 -40.62 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.969 HD13 HD13 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -50.02 -56.29 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.8 -40.99 70.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.47 -40.3 96.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.962 HD13 ' CD1' ' A' 1028 ' ' LEU . 3.2 tt -68.82 -35.96 77.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.686 HD13 ' CG1' ' A' ' 955' ' ' VAL . 32.6 mm -65.62 -43.1 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.593 ' O ' HD23 ' A' 1004 ' ' LEU . 35.0 t30 -68.13 -46.41 70.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -35.31 8.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.811 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -81.38 -26.06 35.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' 1002 ' ' MET . 8.3 mtmt -64.2 -50.13 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' 1000 ' ' ASN . 0.1 OUTLIER -66.0 -56.15 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.612 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -42.15 -46.04 4.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 0.3 OUTLIER -40.81 -43.81 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -97.23 -29.33 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.763 ' CG ' ' CE2' ' A' 1017 ' ' TYR . 33.4 m-85 -89.63 26.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.895 HG23 ' HG3' ' A' 1014 ' ' GLN . 12.9 p -118.46 -51.18 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.738 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.99 52.62 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.738 HG23 ' CE ' ' A' 1010 ' ' MET . 0.7 OUTLIER -144.9 -70.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' 1008 ' ' TYR . 0.2 OUTLIER -80.99 50.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.895 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.9 OUTLIER -85.16 -70.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -37.06 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.3 tp10 -72.18 -66.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.763 ' CE2' ' CG ' ' A' 1008 ' ' TYR . 4.6 m-85 -59.14 -21.52 59.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.557 ' CE ' HD12 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -71.64 -40.83 69.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -60.04 -60.34 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' 1022 ' ' LEU . 5.4 ptm -53.89 -24.09 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.751 HD13 ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -73.81 -49.61 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 14.5 m -42.81 -51.72 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.29 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -52.38 -36.23 53.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -55.59 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.12 75.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.962 ' CD1' HD13 ' A' ' 998' ' ' LEU . 9.4 mt -58.67 -65.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.62 -40.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.4 t -73.8 -49.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.89 -58.95 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.52 65.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -65.38 -62.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.638 ' O ' HG23 ' A' 1038 ' ' VAL . 11.1 t-20 -40.42 -39.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.94 -67.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 1.082 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -64.39 -42.21 96.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' 1036 ' ' LEU . 2.5 t70 -39.87 -52.5 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 1034 ' ' ASN . 65.4 t -61.07 -41.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.738 HG23 ' HG ' ' A' ' 976' ' ' LEU . 10.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' 1044 ' ' LEU . 0.0 OUTLIER -73.48 -20.05 60.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.889 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -90.41 -39.08 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -51.42 -55.27 19.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' 1045 ' ' LYS . 0.0 OUTLIER -66.64 -34.28 77.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' 1044 ' ' LEU . 6.6 tmtm? -48.77 -27.01 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.8 ttm -81.88 -27.93 33.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' 1044 ' ' LEU . 7.7 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 1.6 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.24 -45.49 39.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -53.36 58.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 929' ' ' VAL . 12.0 t -56.71 -47.14 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.798 ' CE1' HD21 ' A' 1036 ' ' LEU . 3.4 m-85 -64.68 -28.8 69.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.36 -68.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.562 ' OD1' HG21 ' A' ' 968' ' ' THR . 15.0 m120 -43.67 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 925' ' ' VAL . 74.4 t -41.99 -59.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.7 p -66.72 -64.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.42 -47.57 0.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.32 -51.67 34.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -54.82 -29.78 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.05 -49.09 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.48 95.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.468 HG23 HD12 ' A' ' 932' ' ' LEU . 41.1 t -40.24 -48.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' 1029 ' ' ALA . 1.4 mp -84.35 -61.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.4 OUTLIER -36.15 -49.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 29.4 ttm -47.66 -63.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.56 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 89.2 p -43.77 -33.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -40.19 93.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.896 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.8 OUTLIER -112.96 25.42 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.63 -48.57 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.15 -54.42 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -74.99 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -31.66 128.56 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.476 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.02 -15.83 20.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.64 -24.53 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.465 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -99.93 -5.23 28.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.588 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -92.81 -40.39 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -49.9 -46.83 81.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -75.01 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.511 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -33.41 -51.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 999' ' ' ILE . 54.6 t -66.55 -50.04 70.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -45.2 -32.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -42.72 70.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.691 HG13 HD11 ' A' ' 995' ' ' LEU . 0.4 OUTLIER -55.0 -46.81 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.444 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -54.77 -45.69 78.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.74 90.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 1.016 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -65.52 -38.57 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . 0.742 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -61.32 -56.3 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 968' ' ' THR . 3.6 m -56.41 -34.68 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.968 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.1 tm? -51.28 -47.81 62.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 966' ' ' LEU . 4.2 mt -57.7 -50.79 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -57.9 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 964' ' ' THR . 62.8 p -40.6 -46.09 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 965' ' ' LEU . 69.1 t -53.18 -46.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 973' ' ' LEU . 33.4 t0 -51.62 -28.82 15.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.847 ' O ' HG23 ' A' ' 975' ' ' VAL . 3.7 tt0 -75.17 -23.78 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.446 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.0 OUTLIER -86.09 -21.26 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.2 OUTLIER -48.07 -53.31 34.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 971' ' ' GLU . 48.0 t -59.63 -29.55 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.9 OUTLIER -105.97 158.36 32.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.764 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.68 168.27 19.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.05 34.08 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.85 HG21 ' HB3' ' A' ' 976' ' ' LEU . 0.8 OUTLIER -113.93 -55.89 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.871 ' HB3' HD21 ' A' ' 973' ' ' LEU . 1.8 p80 -48.15 -62.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -33.1 -71.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -61.18 -45.94 92.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.558 HD12 ' HB ' ' A' ' 980' ' ' THR . 45.3 mt -53.89 -39.61 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.696 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.8 OUTLIER -58.36 -48.7 79.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.8 mtm -65.03 -17.82 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' 1035 ' ' LEU . . . -84.73 -29.17 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.415 ' OE1' HG21 ' A' ' 969' ' ' VAL . 2.0 mm100 -75.7 -45.12 38.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -44.51 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 965' ' ' LEU . 14.3 tp -64.26 -63.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -46.16 -40.45 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 43.8 t -54.62 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.719 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.2 m-20 -45.48 -35.58 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.691 HD11 HG13 ' A' ' 958' ' ' VAL . 0.2 OUTLIER -61.81 -67.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.75 -53.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -56.08 -48.33 76.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.606 HD13 ' C ' ' A' ' 998' ' ' LEU . 2.3 tm? -61.91 -44.6 96.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 955' ' ' VAL . 19.8 mm -58.26 -41.27 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.43 -48.04 44.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' 1004 ' ' LEU . 1.8 tptt -60.39 -61.92 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.639 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -46.16 -31.82 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.0 OUTLIER -64.61 -37.8 88.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' 1001 ' ' LYS . 5.6 mt -80.16 -37.33 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -45.99 -39.17 8.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.621 ' O ' HG12 ' A' 1009 ' ' VAL . 1.3 mp0 -51.48 -42.66 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -30.22 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.513 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.9 m-85 -87.71 39.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.868 HG23 ' HG3' ' A' 1014 ' ' GLN . 7.1 p -127.4 -44.74 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -26.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.719 HG23 ' H ' ' A' 1013 ' ' LEU . 9.3 t -104.48 -163.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' 1011 ' ' THR . 7.4 p -79.24 -27.09 42.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.731 HD13 ' HB3' ' A' 1016 ' ' GLU . 0.2 OUTLIER -41.91 -28.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.868 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.6 OUTLIER -37.12 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -37.06 -33.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.731 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.3 OUTLIER -65.71 -62.2 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.553 ' HD1' HD12 ' A' 1013 ' ' LEU . 1.6 m-85 -58.91 -41.88 88.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.407 ' HD2' HG23 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -52.36 -34.93 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . 0.426 ' HE2' ' CA ' ' A' 1019 ' ' LYS . 0.2 OUTLIER -78.62 -24.24 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.44 -59.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' 1022 ' ' LEU . 4.3 ppp? -55.6 -35.61 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.653 HD13 ' C ' ' A' 1022 ' ' LEU . 2.5 tm? -58.8 -48.63 80.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 24.0 m -50.75 -44.5 58.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' 1028 ' ' LEU . . . -66.27 -42.22 88.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.415 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -57.36 -34.32 68.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -69.43 -51.87 32.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.04 79.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.719 HD21 ' CB ' ' A' ' 994' ' ' ASP . 11.5 mt -59.13 -66.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.755 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -38.89 -40.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.2 t -74.43 -53.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -44.61 -55.13 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 1.185 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.489 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -57.06 -34.51 68.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.3 tptt -70.14 -51.65 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.1 t30 -48.96 -34.82 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.436 ' CB ' ' HB1' ' A' ' 987' ' ' ALA . 3.4 tt -59.4 -68.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.798 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -48.15 -37.52 15.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' 1042 ' ' ALA . 2.7 t -78.48 -25.72 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.514 HG23 HD11 ' A' ' 976' ' ' LEU . 13.9 mt -69.85 -58.34 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.9 -53.68 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.768 ' HA ' HD21 ' A' 1044 ' ' LEU . 19.1 pt20 -63.89 -29.18 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.852 ' HB3' HD12 ' A' ' 976' ' ' LEU . . . -70.46 -50.55 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.43 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 2.1 ttp-105 -44.81 -67.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.768 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.1 pp -41.79 -44.17 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' 1042 ' ' ALA . 0.2 OUTLIER -39.42 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.454 ' N ' ' C ' ' A' 1044 ' ' LEU . 10.5 ttp -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.1 t0 -76.63 -33.07 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.17 57.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.53 -56.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.863 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.5 m-30 -59.43 -31.18 69.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 27.0 mm-40 -73.39 -52.22 14.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -50.62 -49.02 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.725 HG22 HD12 ' A' ' 965' ' ' LEU . 49.2 t -56.59 -60.08 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.3 p -49.93 -52.58 32.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -57.98 -30.32 63.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.32 -57.77 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 0.719 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' 1032 ' ' ALA . 27.0 m -64.77 -36.1 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 930' ' ' THR . 9.4 mmtt -57.69 -33.95 68.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -84.37 -46.68 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.498 HG23 HD12 ' A' ' 932' ' ' LEU . 5.0 t -38.12 -41.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 938' ' ' GLU . 25.7 mt -83.77 -65.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -31.09 -45.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 942' ' ' LYS . 2.1 ttp -49.6 -70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.518 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 79.6 p -38.69 -34.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.4 m -64.93 -49.38 70.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.845 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.11 24.09 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.772 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.81 -51.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.491 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -43.13 -53.36 10.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.845 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -32.69 128.41 0.36 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.469 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.92 177.24 8.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.04 -20.34 16.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.78 56.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -117.35 -2.89 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.772 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.2 t80 -92.57 -41.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -49.89 -47.49 80.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.469 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -31.93 -54.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.784 HG11 ' HA ' ' A' ' 999' ' ' ILE . 42.7 t -66.97 -50.11 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.8 OUTLIER -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -61.45 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.448 ' O ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -45.14 -44.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.417 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.5 -41.0 79.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -51.98 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -40.3 -59.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.81 ' HG ' HD22 ' A' ' 995' ' ' LEU . 3.6 mm? -44.04 -55.65 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.61 -55.35 6.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 968' ' ' THR . 11.6 m -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.826 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.2 OUTLIER -53.63 -40.84 66.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.0 mp -58.17 -58.95 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.22 -57.92 7.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 964' ' ' THR . 77.0 p -49.72 -42.74 46.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 965' ' ' LEU . 38.8 t -60.15 -41.2 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -49.14 -42.63 40.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.2 mt-10 -70.99 -23.39 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.736 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.19 -27.46 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.2 OUTLIER -41.34 -53.83 6.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -34.37 3.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.2 t -46.47 -32.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.852 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.7 OUTLIER -110.02 154.21 42.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.01 -165.24 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.797 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -65.53 161.31 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 m 87.81 16.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.554 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 2.1 p -116.54 -55.96 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 12.7 p80 -46.81 -21.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 980' ' ' THR . 12.4 tpp180 -83.21 -69.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.996 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.2 OUTLIER -61.76 -41.16 97.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 4.9 mt -56.48 -55.77 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 3.8 tm-20 -52.76 -43.36 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -27.22 64.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -79.61 -15.67 57.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -84.75 -47.8 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 993' ' ' SER . 6.1 tmtt? -56.81 -43.83 81.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.753 HD12 HD22 ' A' 1028 ' ' LEU . 33.8 tp -51.94 -46.16 64.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.506 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.8 t-20 -61.87 -38.5 88.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 989' ' ' LYS . 29.0 t -58.82 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.656 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.4 m-20 -53.21 -22.19 6.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.81 HD22 ' HG ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -65.07 -59.97 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . 0.412 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -55.25 -53.71 52.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -24.54 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' 1028 ' ' LEU . 0.3 OUTLIER -71.85 -53.3 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.784 ' HA ' HG11 ' A' ' 955' ' ' VAL . 1.5 mp -49.04 -48.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 3.0 t-20 -62.57 -51.35 67.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 11.7 mmtt -39.81 -36.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.574 ' HB2' HG21 ' A' ' 955' ' ' VAL . 9.8 tmm? -76.68 -57.67 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' 1002 ' ' MET . 4.0 mtpm? -42.51 -28.31 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' 1002 ' ' MET . 9.6 mt -83.66 -57.12 3.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -40.62 -31.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.797 ' O ' HG12 ' A' 1009 ' ' VAL . 2.1 mt-30 -56.54 -54.17 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.56 -7.4 57.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 20.0 m-85 -108.09 27.34 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' 1006 ' ' GLN . 5.3 p -119.13 -35.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.5 ' CE ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -81.48 16.29 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.5 ' HB ' ' CE ' ' A' 1010 ' ' MET . 4.7 t -134.11 9.12 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.2 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.495 HD12 ' CD1' ' A' 1008 ' ' TYR . 0.2 OUTLIER -62.43 -14.03 36.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.549 ' HB2' HG23 ' A' 1009 ' ' VAL . 1.8 tt0 -44.06 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 3.4 pp0? -36.65 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.9 tt0 -69.53 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 5.8 m-85 -69.95 -10.48 58.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.29 -52.05 25.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -31.01 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -59.64 -61.74 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' 1022 ' ' LEU . 2.1 ptm -54.04 -24.37 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.495 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -73.78 -45.55 51.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.3 m -46.66 -46.74 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.81 58.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . 0.425 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -58.73 -31.56 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.9 OUTLIER -75.27 -53.26 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.37 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.753 HD22 HD12 ' A' ' 991' ' ' LEU . 8.3 mt -56.21 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.485 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -38.21 -46.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -70.82 -53.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -42.87 -53.36 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.834 ' HB3' HG11 ' A' ' 933' ' ' VAL . . . -55.78 -39.34 71.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' 1030 ' ' VAL . 2.3 tppt? -65.67 -44.06 87.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -56.49 -33.66 66.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.44 -62.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.863 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.31 -41.05 94.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -40.06 -50.93 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.996 HG11 ' HB3' ' A' ' 983' ' ' GLU . 51.2 t -62.81 -41.76 93.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.852 HG23 ' HG ' ' A' ' 976' ' ' LEU . 18.9 mt -58.77 -45.67 91.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . 0.5 ' HA ' ' CD ' ' A' 1043 ' ' ARG . 0.5 OUTLIER -50.46 -40.68 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' 1045 ' ' LYS . 28.5 mt-30 -75.52 -18.51 59.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -79.96 -64.38 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.5 ' CD ' ' HA ' ' A' 1040 ' ' ASP . 0.0 OUTLIER -38.24 -64.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' 1045 ' ' LYS . 4.2 pp -52.24 -38.87 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.622 ' N ' HD12 ' A' 1044 ' ' LEU . 0.6 OUTLIER -42.98 -27.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.424 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -90.9 -56.28 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.671 ' ND2' HH22 ' A' 1043 ' ' ARG . 12.3 p-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.43 -28.42 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 968' ' ' THR . 68.4 t -56.37 -45.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.8 m-85 -66.87 -34.61 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -66.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -45.18 -41.0 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 930' ' ' THR . 2.1 t -55.74 -63.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.444 ' N ' HG12 ' A' ' 929' ' ' VAL . 3.3 p -55.09 -65.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.81 -36.88 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.864 HD23 HG13 ' A' ' 933' ' ' VAL . 0.0 OUTLIER -68.86 -72.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.864 HG13 HD23 ' A' ' 932' ' ' LEU . 8.1 m -48.27 -30.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.17 -38.55 86.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.8 -49.38 12.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 935' ' ' ALA . 3.7 t -36.9 -39.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 938' ' ' GLU . 11.3 mt -84.82 -68.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -32.51 -48.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.4 ttp -47.27 -66.38 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' 1022 ' ' LEU . 1.5 m -38.17 -37.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -63.85 -51.81 62.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.858 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -98.72 25.13 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.614 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.09 -49.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.2 -53.19 17.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.96 -50.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.77 123.27 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.471 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.05 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.471 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -15.18 20.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.83 -26.34 21.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.539 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -102.02 -12.67 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.73 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 16.5 t80 -89.86 -31.14 17.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.607 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.5 t -50.65 -46.55 85.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.05 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -31.47 -64.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.958 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.851 HG21 ' HB2' ' A' 1002 ' ' MET . 25.1 t -56.42 -51.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -47.71 -35.06 9.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -39.5 91.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -56.83 -41.95 76.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -57.92 -39.36 91.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -41.23 86.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -73.12 -41.84 63.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 1.018 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -68.11 -39.59 82.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . 0.745 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -62.64 -51.24 68.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 968' ' ' THR . 21.3 m -59.1 -27.95 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.4 OUTLIER -56.56 -57.05 14.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 5.6 mp -46.62 -52.46 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.69 -55.19 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -52.54 -36.25 55.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 965' ' ' LEU . 56.2 t -64.46 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 12.2 t70 -50.6 -39.72 50.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.4 mt-10 -69.57 -23.08 63.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 1.002 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -83.83 -32.35 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.3 OUTLIER -36.58 -53.13 1.81 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -40.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 971' ' ' GLU . 66.2 t -51.99 -34.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 972' ' ' SER . 0.2 OUTLIER -108.57 159.3 31.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.488 ' O ' HG23 ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.463 ' HB1' ' CE1' ' A' ' 981' ' ' HIS . . . -63.23 -13.17 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 54.6 p -59.94 -18.98 49.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.807 HG22 ' HB1' ' A' 1042 ' ' ALA . 0.7 OUTLIER -106.08 40.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.463 ' CE1' ' HB1' ' A' ' 978' ' ' ALA . 6.8 m170 -84.79 -95.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.401 ' HB3' ' HE3' ' A' ' 986' ' ' MET . 84.0 mtt180 -54.07 -44.43 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -50.26 -46.38 54.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 988' ' ' GLN . 4.4 mt -68.12 -35.23 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.56 -41.29 98.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' A' ' 982' ' ' ARG . 2.6 mtm -69.85 -35.82 75.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.13 62.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.515 HE22 HG21 ' A' ' 969' ' ' VAL . 3.7 mm-40 -83.29 -42.95 16.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -25.63 67.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -57.36 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.63 -48.73 39.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.458 ' HA ' HD23 ' A' ' 995' ' ' LEU . 7.5 t30 -57.29 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 992' ' ' ASN . 0.3 OUTLIER -38.49 -56.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 1.033 ' CB ' HD11 ' A' 1028 ' ' LEU . 46.1 m-20 -61.87 -41.93 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.573 HD22 HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -47.94 -50.51 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.28 64.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -56.64 -28.4 60.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -48.83 16.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.462 ' CG1' HD12 ' A' ' 995' ' ' LEU . 3.4 mm -59.32 -53.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.08 -52.07 67.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -47.54 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.851 ' HB2' HG21 ' A' ' 955' ' ' VAL . 3.7 tmm? -60.32 -50.41 73.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -50.97 -28.74 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.83 -51.22 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.73 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -47.49 -37.95 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.48 ' CD ' ' CG2' ' A' ' 952' ' ' VAL . 1.2 mt-30 -51.11 -37.28 45.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -28.62 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.692 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.5 m-85 -90.23 30.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.521 HG23 ' HG3' ' A' 1014 ' ' GLN . 6.5 p -117.81 -50.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.42 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -42.01 -26.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.682 HG23 ' HB2' ' A' 1013 ' ' LEU . 4.3 t -106.03 170.18 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . . . . . . . . . 17.1 m -56.03 -20.92 18.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.81 HD13 ' HB3' ' A' 1016 ' ' GLU . 0.2 OUTLIER -51.03 -22.31 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.521 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.0 OUTLIER -41.84 -77.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -39.78 -29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.81 ' HB3' HD13 ' A' 1013 ' ' LEU . 2.9 tt0 -67.82 -61.09 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.692 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 0.8 OUTLIER -65.62 -16.04 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 111.029 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.41 ' CE ' ' HG2' ' A' 1014 ' ' GLN . 0.0 OUTLIER -71.66 -40.53 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' 1023 ' ' THR . 2.7 mmpt? -70.38 -31.04 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -64.49 -65.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -50.83 -25.48 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 940' ' ' SER . 0.2 OUTLIER -74.62 -53.86 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' 1019 ' ' LYS . 5.9 m -38.32 -45.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' 1026 ' ' HIS . . . -77.09 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.81 -25.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . 0.439 ' N ' ' C ' ' A' 1024 ' ' ALA . 26.4 t60 -76.06 -62.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.22 95.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 1.033 HD11 ' CB ' ' A' ' 994' ' ' ASP . 1.9 mm? -48.76 -65.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.808 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -39.5 -52.11 2.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.89 -43.87 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.475 ' HA ' ' ND2' ' A' 1034 ' ' ASN . 68.9 m-20 -54.84 -47.96 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.529 ' HB3' HG11 ' A' ' 933' ' ' VAL . . . -58.7 -22.47 57.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -47.11 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.503 ' OD1' ' C ' ' A' 1034 ' ' ASN . 9.7 p30 -60.92 -22.42 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.958 ' O ' HG12 ' A' 1038 ' ' VAL . 0.2 OUTLIER -65.62 -62.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' 1035 ' ' LEU . 0.3 OUTLIER -68.95 -39.65 79.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.16 -40.75 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' 1035 ' ' LEU . 1.2 p -72.16 -26.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.914 HG23 ' HG ' ' A' ' 976' ' ' LEU . 11.4 mt -73.35 -52.4 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -52.31 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.785 ' HA ' HD21 ' A' 1044 ' ' LEU . 15.3 mt-30 -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.807 ' HB1' HG22 ' A' ' 980' ' ' THR . . . -72.33 -57.4 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.671 HH22 ' ND2' ' A' ' 922' ' ' ASN . 11.0 ttm180 -38.77 -63.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.785 HD21 ' HA ' ' A' 1041 ' ' GLN . 2.6 pp -47.51 -43.02 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.518 ' N ' HD12 ' A' 1044 ' ' LEU . 8.0 tttp -43.8 -34.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 19.2 ttp -83.7 -49.32 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.985 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.4 OUTLIER -74.99 -45.96 38.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 972' ' ' SER . 23.9 t -74.1 -62.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.951 ' CD1' HD21 ' A' 1036 ' ' LEU . 3.7 m-30 -50.26 -21.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 923' ' ' ASP . 1.5 mm-40 -71.42 -67.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 927' ' ' GLU . 0.5 OUTLIER -38.68 -49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 1.016 HG21 HD13 ' A' 1036 ' ' LEU . 29.3 t -50.55 -56.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' GLY . 10.5 p -68.54 -63.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.3 -59.55 0.63 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -55.96 -50.38 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.774 HG22 ' HA ' ' A' 1029 ' ' ALA . 0.9 OUTLIER -55.82 -55.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 933' ' ' VAL . 0.6 OUTLIER -39.95 -38.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -77.52 -51.69 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.9 -40.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.3 mt -84.41 -68.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.37 -47.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.533 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 13.4 ttm -44.95 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.481 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 22.8 m -38.92 -39.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 938' ' ' GLU . 3.3 t -59.15 -61.81 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.88 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -91.1 28.62 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.862 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.14 -52.87 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.5 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.08 -52.91 11.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.04 -50.48 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.88 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -31.07 124.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.467 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.51 8.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -14.48 21.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.15 -21.27 22.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.443 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.4 OUTLIER -106.08 -6.34 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.862 ' CE1' HD11 ' A' ' 943' ' ' ILE . 13.6 t80 -92.89 -40.74 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.11 -47.35 81.8 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.82 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.461 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -33.11 -54.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.79 HG11 ' HG2' ' A' 1002 ' ' MET . 2.5 t -66.23 -54.24 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.93 -30.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -72.55 -52.57 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -53.08 -38.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.596 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -62.35 -41.47 99.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.35 87.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.816 HD13 HD22 ' A' ' 995' ' ' LEU . 1.8 mt -54.03 -47.98 70.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.82 -54.09 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 968' ' ' THR . 1.2 m -61.69 -44.66 96.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 969' ' ' VAL . 3.5 tp -43.2 -47.63 6.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.1 mp -56.39 -58.02 9.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.53 -62.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 964' ' ' THR . 72.8 p -49.64 -44.54 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 965' ' ' LEU . 37.6 t -59.29 -37.88 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 3.6 t70 -49.43 -40.13 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 975' ' ' VAL . 4.3 tt0 -72.61 -22.53 60.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.436 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.2 OUTLIER -86.76 -16.02 37.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.791 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.2 OUTLIER -53.84 -53.02 62.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -75.0 -35.28 3.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 971' ' ' GLU . 55.8 t -48.69 -29.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.818 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.4 OUTLIER -109.44 164.45 14.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 976' ' ' LEU . 18.2 Cg_endo -74.99 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -83.96 45.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.94 2.21 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.86 HG22 ' CB ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -116.08 -29.67 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.358 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.791 ' CD2' HD22 ' A' ' 973' ' ' LEU . 25.7 m170 -45.29 -31.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -71.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.925 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.0 OUTLIER -50.73 -44.18 58.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 1.076 HG23 HD11 ' A' 1035 ' ' LEU . 13.7 mt -61.45 -36.11 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -46.76 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.6 mtm -74.92 -22.14 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -82.07 -24.86 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -46.98 13.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -37.66 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . 0.539 HD22 ' OD1' ' A' 1031 ' ' ASP . 0.7 OUTLIER -62.99 -49.48 74.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.663 HD21 HD23 ' A' ' 962' ' ' LEU . 30.7 tp -56.23 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.594 ' HA ' HD23 ' A' ' 995' ' ' LEU . 51.4 t30 -40.92 -48.71 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.32 -72.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.47 -21.77 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.816 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -68.55 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -48.92 -54.7 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.79 -37.39 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.755 HD13 HD12 ' A' 1028 ' ' LEU . 10.5 tt -68.05 -45.46 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 955' ' ' VAL . 45.6 mm -55.06 -52.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.09 -37.82 81.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -46.18 84.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.79 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.37 -23.18 62.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.4 OUTLIER -68.67 -40.63 80.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' 1005 ' ' ALA . 27.6 mt -72.12 -54.54 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.686 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -38.34 -48.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.515 ' O ' HG12 ' A' 1009 ' ' VAL . 1.8 tt0 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -29.33 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.765 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 15.6 m-85 -90.37 34.29 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' 1010 ' ' MET . 11.5 p -124.88 -54.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.546 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -56.31 -40.12 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.696 HG23 ' H ' ' A' 1012 ' ' SER . 0.1 OUTLIER -49.53 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.696 ' H ' HG23 ' A' 1011 ' ' THR . 29.6 t 176.43 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.73 HD23 ' N ' ' A' 1013 ' ' LEU . 0.2 OUTLIER -70.59 57.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' 1009 ' ' VAL . 43.7 tt0 -85.35 -73.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -43.21 -33.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -66.45 -58.02 6.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.765 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 3.3 m-85 -68.05 -13.25 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' 1021 ' ' MET . 0.0 OUTLIER -71.49 -46.8 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -37.93 89.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -50.85 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' 1022 ' ' LEU . 6.0 ptm -55.34 -25.38 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -70.37 -45.68 65.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 22.7 m -47.41 -46.63 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.16 55.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.48 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.7 OUTLIER -75.23 -54.38 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.74 81.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 998' ' ' LEU . 10.3 mt -53.65 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -40.95 -43.17 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.5 t -70.96 -43.82 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.539 ' OD1' HD22 ' A' ' 990' ' ' LEU . 72.4 m-20 -54.55 -52.39 62.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.74 -26.63 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' 1035 ' ' LEU . 29.8 mmtt -73.46 -63.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' 1038 ' ' VAL . 9.2 m-20 -40.85 -29.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 1.076 HD11 HG23 ' A' ' 984' ' ' ILE . 21.2 tp -62.97 -70.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 1.016 HD13 HG21 ' A' ' 929' ' ' VAL . 0.2 OUTLIER -65.92 -41.38 91.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -42.62 -41.84 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.925 HG11 ' HB3' ' A' ' 983' ' ' GLU . 74.7 t -71.77 -39.25 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.627 ' CG1' HD11 ' A' ' 984' ' ' ILE . 7.6 mt -53.77 -59.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.65 -44.62 27.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.74 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.9 OUTLIER -69.59 -25.83 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.86 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -79.28 -47.86 15.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -45.78 -54.35 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.74 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.0 pp -55.75 -44.91 78.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.51 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -42.87 -32.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 10.5 ttp -85.58 -48.24 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.97 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 2.6 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.8 t70 -76.39 -35.25 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -44.35 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 929' ' ' VAL . 31.0 t -58.66 -49.52 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 1.185 ' CD1' HD11 ' A' 1036 ' ' LEU . 7.2 m-30 -65.46 -29.55 70.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -69.88 -52.21 26.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.545 ' OD1' HG21 ' A' ' 968' ' ' THR . 10.9 m120 -55.73 -50.54 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.987 HG22 HD21 ' A' ' 965' ' ' LEU . 84.7 t -50.79 -55.72 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.9 p -60.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -36.25 -53.57 1.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.1 OUTLIER -58.69 -52.08 67.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.2 t -57.03 -56.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 933' ' ' VAL . 0.2 OUTLIER -40.13 -37.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -75.59 -50.09 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.57 -42.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 938' ' ' GLU . 4.1 mt -84.63 -67.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -34.73 -53.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -46.17 -61.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.557 ' HB3' HD23 ' A' 1022 ' ' LEU . 57.8 m -41.85 -37.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 6.4 t -64.78 -55.35 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.881 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.12 24.07 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.36 -54.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.4 tt0 -45.94 -49.92 37.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.881 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.07 135.12 0.66 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 177.57 8.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.55 -28.62 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.557 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -92.85 -8.2 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.609 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -83.42 -49.08 9.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.34 -47.5 57.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.55 ' HE3' HG12 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -28.92 -60.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.746 ' CG1' HD13 ' A' ' 999' ' ' ILE . 6.8 t -60.93 -52.12 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -44.37 -32.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -51.37 59.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -51.29 -36.37 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.15 96.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -38.76 88.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.88 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.922 HD13 ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.18 -34.69 78.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -57.53 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 968' ' ' THR . 3.4 m -53.61 -29.37 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.987 HD21 HG22 ' A' ' 929' ' ' VAL . 0.0 OUTLIER -58.06 -53.24 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.9 mp -48.81 -49.84 37.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.74 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 964' ' ' THR . 69.9 p -51.79 -37.53 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 965' ' ' LEU . 82.8 t -62.33 -43.35 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.1 t70 -49.12 -38.35 24.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 975' ' ' VAL . 6.4 mt-10 -76.82 -24.28 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.663 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.08 -27.69 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.51 -52.2 10.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.05 -34.02 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 971' ' ' GLU . 21.6 t -46.64 -32.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.856 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.7 OUTLIER -109.81 154.84 42.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 -175.73 2.52 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -54.63 176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.88 29.79 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.649 ' CG2' ' HB1' ' A' 1042 ' ' ALA . 1.0 OUTLIER -117.31 -59.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 985' ' ' GLU . 2.7 p80 -44.34 -52.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.53 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.716 ' CB ' HG11 ' A' 1038 ' ' VAL . 13.0 mt-10 -54.76 -45.07 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 980' ' ' THR . 8.6 mt -56.64 -30.66 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -65.94 -44.39 85.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.0 mtm -66.86 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.39 -33.22 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.11 -46.7 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -55.32 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 991' ' ' LEU . 0.0 OUTLIER -50.17 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -41.35 -56.79 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 1.026 ' CB ' HD11 ' A' 1028 ' ' LEU . 43.3 m-20 -47.23 -47.56 24.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.922 ' HG ' HD13 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -48.8 -62.39 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -37.57 -52.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.2 OUTLIER -59.02 -40.81 86.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.746 HD13 ' CG1' ' A' ' 955' ' ' VAL . 6.0 mm -64.89 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -42.43 -36.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -54.33 47.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.641 ' HB3' HG21 ' A' ' 955' ' ' VAL . 0.8 OUTLIER -57.42 -20.06 27.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.6 mtpt -77.38 -29.41 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 23.5 mt -89.48 -50.73 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -47.21 -34.33 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -35.51 70.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.8 -27.8 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.733 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 9.5 m-85 -87.83 26.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.664 HG23 ' HG3' ' A' 1014 ' ' GLN . 4.1 p -113.48 -48.83 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -40.93 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.2 OUTLIER -50.51 -62.08 1.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.6 OUTLIER 161.02 -26.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.657 HD23 ' N ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -78.37 53.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.664 ' HG3' HG23 ' A' 1009 ' ' VAL . 18.7 tt0 -84.46 -75.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -25.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.47 -58.2 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.733 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 4.2 m-85 -65.14 -25.4 67.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.425 ' HG3' HG23 ' A' ' 943' ' ' ILE . 11.5 mptt -67.54 -34.02 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -32.77 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -56.38 -68.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 5.2 ppp? -52.36 -31.19 32.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.699 HD13 ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -61.21 -58.81 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.0 m -39.92 -48.14 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.58 76.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.59 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -59.86 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 1.026 HD11 ' CB ' ' A' ' 994' ' ' ASP . 0.4 OUTLIER -59.16 -61.38 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.69 -43.78 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -73.06 -48.49 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 18.7 t0 -43.47 -48.72 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.83 85.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.85 -38.13 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.62 -36.71 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.06 -61.84 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 1.185 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.32 -39.88 94.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -45.85 -44.08 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.716 HG11 ' CB ' ' A' ' 983' ' ' GLU . 46.9 t -68.3 -31.49 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.856 HG23 ' HG ' ' A' ' 976' ' ' LEU . 13.1 mt -70.91 -40.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -45.89 70.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.561 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.1 pt20 -71.35 -22.82 61.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.649 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -75.18 -47.19 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.99 -36.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . . . . . . . . . 5.1 ttp -80.91 -51.88 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 35.2 t30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.9 OUTLIER -75.67 -21.16 57.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -61.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 968' ' ' THR . 43.8 t -55.06 -37.47 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 1.043 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -74.87 -21.94 58.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -81.6 -61.08 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -47.42 -36.24 9.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 925' ' ' VAL . 54.8 t -66.43 -63.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -63.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -47.69 -28.14 5.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.47 -59.16 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.793 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 1029 ' ' ALA . 31.9 m -65.45 -39.09 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -60.08 -30.11 69.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -90.35 -51.43 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 935' ' ' ALA . 1.2 t -38.23 -37.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 938' ' ' GLU . 19.2 mt -84.33 -64.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.528 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -28.57 -48.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.484 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.1 ttp -42.39 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.527 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.7 m -37.87 -37.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -51.55 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.775 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.11 28.88 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.88 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.77 -50.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.39 -52.9 12.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.81 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 951' ' ' TYR . 18.5 Cg_endo -74.97 176.33 10.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.438 ' HG3' HG21 ' A' 1009 ' ' VAL . 18.2 Cg_endo -75.02 -17.54 19.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.37 -16.79 36.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.88 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.3 t80 -93.17 -40.67 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.687 HG23 ' CD ' ' A' 1006 ' ' GLN . 1.0 OUTLIER -51.44 -47.42 89.05 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.472 ' CE ' HG12 ' A' ' 943' ' ' ILE . 0.4 OUTLIER -32.77 -53.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.53 ' CG1' HD13 ' A' ' 999' ' ' ILE . 93.9 t -68.04 -49.95 63.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 1.5 mmmp? -43.99 -36.23 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 960' ' ' LEU . 8.4 tt0 -65.47 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 961' ' ' ALA . 48.7 t -43.09 -46.99 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -54.68 -39.89 68.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.3 OUTLIER -62.45 -35.69 80.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 958' ' ' VAL . . . -56.25 -46.02 79.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 966' ' ' LEU . 3.4 mm? -54.64 -54.9 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.24 -55.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 27.6 m -64.61 -45.73 85.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.963 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.1 OUTLIER -50.38 -48.99 55.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -48.12 -59.73 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -54.06 -50.24 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.877 HG23 HG22 ' A' ' 925' ' ' VAL . 0.4 OUTLIER -54.85 -36.88 65.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 965' ' ' LEU . 78.1 t -64.02 -43.18 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.418 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.4 t0 -49.96 -35.38 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.6 tt0 -77.5 -23.77 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.528 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.63 -29.49 24.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.17 -51.5 7.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -74.98 -35.06 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 971' ' ' GLU . 16.3 t -47.09 -27.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.799 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.5 mm? -109.3 146.16 33.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.1 Cg_endo -75.05 159.45 41.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -57.72 118.56 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 p 158.82 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.961 ' OG1' HG12 ' A' 1038 ' ' VAL . 10.0 t -116.88 34.88 4.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 982' ' ' ARG . 30.7 m170 -80.76 -78.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 985' ' ' GLU . 6.3 tpt180 -38.24 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.944 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.1 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.74 HD11 ' CG1' ' A' 1039 ' ' ILE . 25.9 mt -60.71 -39.47 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -64.55 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.9 mtp -78.63 -27.87 45.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -76.54 -17.84 59.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . 0.49 ' HG2' HD11 ' A' 1035 ' ' LEU . 2.0 mm100 -82.16 -45.91 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -36.96 84.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -40.26 96.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 962' ' ' LEU . 16.0 tp -58.1 -55.16 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.04 -58.14 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 7.9 t -43.67 -59.38 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.777 ' CB ' HD11 ' A' 1028 ' ' LEU . 35.3 m-20 -56.89 -47.19 81.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.2 OUTLIER -49.91 -57.26 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -43.2 -51.25 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -58.05 -34.48 70.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.579 HD11 ' SD ' ' A' 1021 ' ' MET . 0.2 OUTLIER -74.65 -48.07 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.53 HD13 ' CG1' ' A' ' 955' ' ' VAL . 51.2 mm -53.88 -46.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 1003 ' ' LYS . 22.4 t30 -63.09 -49.57 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.553 ' HA ' HD21 ' A' 1004 ' ' LEU . 7.7 mmtm -40.99 -35.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.599 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 1.7 ttp -80.05 -40.72 27.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' 1000 ' ' ASN . 2.7 mtpt -52.55 -50.24 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . 0.553 HD21 ' HA ' ' A' 1001 ' ' LYS . 0.5 OUTLIER -66.33 -52.53 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -54.64 -18.52 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.687 ' CD ' HG23 ' A' ' 952' ' ' VAL . 3.3 tp-100 -76.08 -30.35 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.86 -31.08 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.75 ' CE2' ' CZ ' ' A' 1017 ' ' TYR . 2.3 m-85 -71.67 -28.22 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.481 HG13 ' H ' ' A' 1010 ' ' MET . 2.0 p -40.65 -55.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' 1010 ' ' MET . 3.4 ttp -67.47 57.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' 1012 ' ' SER . 31.5 m -160.02 -36.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.9 t 98.96 -5.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.54 ' HG ' ' CG2' ' A' 1011 ' ' THR . 0.3 OUTLIER -83.11 -9.31 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -46.59 -53.07 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -35.64 -42.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -67.09 -59.02 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.75 ' CZ ' ' CE2' ' A' 1008 ' ' TYR . 24.5 m-85 -59.67 -22.26 61.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.8 OUTLIER -69.39 -41.02 77.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -63.11 -33.73 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -62.95 -44.86 94.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . 0.579 ' SD ' HD11 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -55.92 -42.32 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.503 HD13 ' C ' ' A' 1022 ' ' LEU . 3.3 tm? -61.19 -56.55 19.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' 1022 ' ' LEU . 1.8 m -37.62 -49.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.22 64.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.29 -25.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -71.51 -62.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.34 75.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.777 HD11 ' CB ' ' A' ' 994' ' ' ASP . 1.0 OUTLIER -61.07 -64.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.546 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -40.11 -36.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.3 t -78.8 -46.77 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' 1028 ' ' LEU . 7.9 m-20 -43.79 -51.78 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.61 98.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -48.33 64.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.545 ' O ' HG23 ' A' 1038 ' ' VAL . 3.8 m-20 -50.69 -46.0 58.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . 0.49 HD11 ' HG2' ' A' ' 988' ' ' GLN . 4.0 tt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 1.043 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.09 -43.99 63.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.2 -44.52 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.961 HG12 ' OG1' ' A' ' 980' ' ' THR . 83.9 t -67.23 -42.67 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.799 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.6 mt -53.74 -53.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -42.38 42.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.759 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.3 mt-30 -61.41 -22.02 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.657 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -79.99 -55.46 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -46.48 -59.87 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -50.36 -46.84 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.637 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -51.21 -26.45 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.475 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 0.8 OUTLIER -95.84 -37.99 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.976 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 922' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 922' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -74.21 -40.04 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -43.89 93.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . 0.842 HG11 ' OG ' ' A' ' 972' ' ' SER . 52.2 t -69.28 -45.11 79.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 926' ' ' TYR . . . . . 0.914 ' CD1' HD11 ' A' 1036 ' ' LEU . 1.8 m-85 -64.32 -23.45 67.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 931' ' ' GLY . 3.2 mm-40 -69.9 -68.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 928' ' ' ASN . . . . . 0.545 ' OD1' HG21 ' A' ' 968' ' ' THR . 22.2 m120 -47.2 -23.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 925' ' ' VAL . 13.6 t -75.45 -66.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 930' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 926' ' ' TYR . 2.8 t -62.91 -48.64 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 931' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -50.43 -41.04 40.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 932' ' ' LEU . . . . . 0.883 HD23 HG13 ' A' ' 933' ' ' VAL . 0.0 OUTLIER -58.75 -65.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 0.733 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 933' ' ' VAL . . . . . 0.883 HG13 HD23 ' A' ' 932' ' ' LEU . 19.9 m -52.97 -39.23 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 934' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -49.78 -32.26 13.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -87.35 -44.25 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 936' ' ' VAL . . . . . . . . . . . . . 42.3 t -41.63 -47.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 937' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 938' ' ' GLU . 18.4 mt -73.01 -64.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.18 -45.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 939' ' ' MET . . . . . 0.481 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -45.21 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . 0.616 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.5 p -40.88 -34.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 941' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 1.1 t -57.32 -53.46 57.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.836 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -108.62 32.57 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 943' ' ' ILE . . . . . 0.909 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.24 -51.98 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -42.28 -53.17 9.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.836 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.15 126.87 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 947' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 948' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -13.5 21.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.18 -23.8 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 950' ' ' GLU . . . . . 0.427 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -104.35 -7.21 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 951' ' ' TYR . . . . . 0.909 ' CE1' HD11 ' A' ' 943' ' ' ILE . 34.0 t80 -93.18 -38.2 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 952' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -51.14 -48.17 85.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 953' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -35.06 -68.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 955' ' ' VAL . . . . . 0.748 HG21 ' HG3' ' A' 1002 ' ' MET . 63.3 t -53.05 -54.46 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 956' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 955' ' ' VAL . 2.9 mtpt -39.52 -33.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 957' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.7 OUTLIER -67.33 -58.03 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 958' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -44.56 -46.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -55.4 -39.8 74.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.26 99.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.96 90.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 962' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 995' ' ' LEU . 4.0 mt -58.69 -52.8 64.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -55.74 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 12.4 m -57.66 -44.17 85.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 1.026 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.2 tt -48.48 -51.59 26.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.534 HD23 HD23 ' A' ' 965' ' ' LEU . 50.6 mt -46.14 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.34 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 968' ' ' THR . . . . . 0.545 HG21 ' OD1' ' A' ' 928' ' ' ASN . 90.6 m -50.73 -47.68 59.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 965' ' ' LEU . 23.1 t -58.77 -37.76 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 970' ' ' ASP . . . . . 0.413 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.2 t70 -48.9 -42.82 38.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 971' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 975' ' ' VAL . 53.1 mt-10 -69.43 -23.06 63.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 972' ' ' SER . . . . . 0.842 ' OG ' HG11 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -84.29 -30.0 25.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 973' ' ' LEU . . . . . 0.493 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -38.32 -52.49 3.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 974' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.01 -36.16 2.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 975' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 971' ' ' GLU . 47.4 t -48.16 -32.18 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.746 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.5 mm? -110.69 160.03 30.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.4 Cg_endo -74.98 149.75 37.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 978' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -49.67 -23.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 87.8 p -43.13 -29.81 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.941 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 980' ' ' THR . . . . . 0.77 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 5.2 t -116.57 45.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 981' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -80.83 -83.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.563 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 982' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 985' ' ' GLU . 25.5 tpp180 -40.01 -63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 983' ' ' GLU . . . . . 0.655 ' HB3' HG11 ' A' 1038 ' ' VAL . 38.0 mt-10 -39.12 -51.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.831 HD11 ' CG1' ' A' 1039 ' ' ILE . 9.1 mt -63.25 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 985' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -63.0 -33.36 75.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 986' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 982' ' ' ARG . 11.7 mtp -81.48 -23.93 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.8 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.35 -50.63 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -43.42 86.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 990' ' ' LEU . . . . . 0.675 HD22 ' OD2' ' A' 1031 ' ' ASP . 1.0 OUTLIER -59.02 -53.36 59.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 991' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 995' ' ' LEU . 14.8 tp -48.83 -54.3 15.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 992' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t30 -55.5 -65.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.78 -56.24 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 994' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.6 OUTLIER -62.04 -34.92 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 995' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 995' ' ' LEU . 0.1 OUTLIER -58.14 -60.23 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.6 26.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -33.53 60.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.657 HD23 ' N ' ' A' ' 999' ' ' ILE . 0.5 OUTLIER -74.33 -48.52 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 999' ' ' ILE . . . . . 0.657 ' N ' HD23 ' A' ' 998' ' ' LEU . 17.1 mm -55.79 -41.95 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1000 ' ' ASN . . . . . 0.409 ' C ' ' N ' ' A' 1002 ' ' MET . 4.5 t-20 -65.74 -56.31 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.2 OUTLIER -39.86 -31.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1002 ' ' MET . . . . . 0.748 ' HG3' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -80.11 -52.22 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1003 ' ' LYS . . . . . 0.404 ' HA ' ' HE1' ' A' 1002 ' ' MET . 6.0 mtmt -49.41 -23.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.3 mt -88.46 -42.16 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1005 ' ' ALA . . . . . 0.743 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -50.81 -22.22 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1006 ' ' GLN . . . . . 0.503 ' O ' HG12 ' A' 1009 ' ' VAL . 6.1 tp60 -73.23 -36.99 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.88 -38.29 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1008 ' ' TYR . . . . . 0.816 ' HD1' HD23 ' A' 1013 ' ' LEU . 70.2 m-85 -85.78 45.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1009 ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' 1010 ' ' MET . 3.4 p -135.31 -45.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1010 ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -28.32 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1011 ' ' THR . . . . . 0.782 HG23 ' H ' ' A' 1012 ' ' SER . 0.0 OUTLIER -45.87 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1012 ' ' SER . . . . . 0.782 ' H ' HG23 ' A' 1011 ' ' THR . 3.0 p 168.84 32.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1013 ' ' LEU . . . . . 0.816 HD23 ' HD1' ' A' 1008 ' ' TYR . 5.2 tp -84.39 -12.23 54.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.1 OUTLIER -36.73 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1015 ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' 1014 ' ' GLN . 13.3 pt20 -33.56 -36.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.509 ' OE1' HD11 ' A' 1013 ' ' LEU . 5.3 tt0 -66.93 -67.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1017 ' ' TYR . . . . . 0.754 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 2.3 m-85 -62.77 -29.72 70.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.4 ' NZ ' HG21 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -50.6 -51.02 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.39 97.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -51.97 -51.77 54.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -46.2 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' 1026 ' ' HIS . 0.1 OUTLIER -54.6 -40.93 69.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.7 m -51.96 -44.64 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.73 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.75 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1026 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 1022 ' ' LEU . 33.8 t60 -74.88 -54.98 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.46 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1028 ' ' LEU . . . . . 0.513 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -59.62 -62.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1029 ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -43.07 -44.95 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.9 t -69.3 -46.29 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1031 ' ' ASP . . . . . 0.675 ' OD2' HD22 ' A' ' 990' ' ' LEU . 2.0 t70 -45.99 -56.45 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -53.93 -36.91 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.55 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1034 ' ' ASN . . . . . 0.739 ' O ' HG23 ' A' 1038 ' ' VAL . 28.1 t30 -42.55 -39.29 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.98 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1036 ' ' LEU . . . . . 0.914 HD11 ' CD1' ' A' ' 926' ' ' TYR . 10.0 tt -61.27 -38.38 86.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.81 -47.66 8.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1038 ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' 1034 ' ' ASN . 12.5 t -64.45 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1039 ' ' ILE . . . . . 0.831 ' CG1' HD11 ' A' ' 984' ' ' ILE . 2.1 mt -59.8 -54.09 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.04 -44.86 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1041 ' ' GLN . . . . . 0.756 ' HA ' HD21 ' A' 1044 ' ' LEU . 4.9 mt-30 -64.46 -20.4 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1042 ' ' ALA . . . . . 0.77 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -83.89 -57.69 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1043 ' ' ARG . . . . . 0.594 ' O ' HD12 ' A' 1047 ' ' ILE . 1.4 ttp180 -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.6 pp -68.09 -49.92 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1045 ' ' LYS . . . . . 0.634 ' N ' HD12 ' A' 1044 ' ' LEU . 15.8 mttm -39.89 -31.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 15.3 ttp -83.88 -52.83 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1047 ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' 1043 ' ' ARG . 2.8 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 15.8 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.511 0.196 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -92.76 -175.53 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.26 89.72 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.76 46.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -91.75 42.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.88 -73.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -32.46 19.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 926' ' ' TYR . 0.9 OUTLIER -62.36 -15.52 48.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 16.1 t70 -75.49 -43.0 51.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -60.37 -41.75 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.946 HG22 HG22 ' A' ' 968' ' ' THR . 12.2 t -72.24 -51.22 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 1.009 ' CD1' HD11 ' A' 1036 ' ' LEU . 8.5 m-30 -65.39 -15.36 62.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 2.7 mm-40 -77.26 -68.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.447 ' HB3' HD23 ' A' ' 965' ' ' LEU . 1.0 OUTLIER -40.01 -54.3 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.538 HG13 ' HB1' ' A' 1032 ' ' ALA . 73.9 t -46.59 -62.27 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 934' ' ' LYS . 7.6 p -60.75 -65.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.25 -59.02 0.65 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -56.79 -47.19 80.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.4 t -59.89 -62.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.509 ' N ' HG12 ' A' ' 933' ' ' VAL . 1.9 mttt -39.98 -31.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 939' ' ' MET . . . -82.47 -49.56 9.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.518 HG23 HD12 ' A' ' 932' ' ' LEU . 2.9 t -37.98 -38.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 933' ' ' VAL . 4.6 mp -84.14 -65.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -52.97 4.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 3.4 ppp? -50.41 -31.8 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 937' ' ' ILE . 13.1 m -66.29 -39.07 89.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 45.9 t -67.26 -50.67 59.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.829 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -83.13 7.45 15.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.1 OUTLIER -76.99 -61.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.623 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.1 OUTLIER -35.72 -53.6 1.39 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.4 Cg_endo -74.92 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -30.46 122.23 0.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 178.34 7.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.06 -12.23 21.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -92.43 -28.06 17.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.45 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -100.58 -11.77 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.676 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 9.1 t80 -89.8 -41.67 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.815 HG23 ' HG3' ' A' 1006 ' ' GLN . 0.9 OUTLIER -43.52 -49.76 17.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.0 Cg_endo -75.08 -46.31 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 953' ' ' PRO . 5.9 ttp -34.34 -61.66 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.552 ' CG1' HD13 ' A' ' 999' ' ' ILE . 3.2 t -64.38 -42.73 96.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -51.56 -36.47 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -53.99 40.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 995' ' ' LEU . 75.7 t -50.68 -40.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.592 ' HA2' HD12 ' A' ' 995' ' ' LEU . . . -70.75 -37.78 66.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 960' ' ' LEU . 0.1 OUTLIER -63.82 -41.84 97.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.39 78.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.572 HD11 ' HG ' ' A' ' 991' ' ' LEU . 0.6 OUTLIER -52.95 -54.02 41.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -59.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.894 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.5 OUTLIER -54.07 -48.97 70.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 9.8 mp -48.99 -56.07 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.6 79.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.946 HG22 HG22 ' A' ' 925' ' ' VAL . 23.0 m -56.98 -41.55 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 965' ' ' LEU . 21.9 t -57.51 -47.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -48.13 -41.45 26.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 975' ' ' VAL . 15.7 tt0 -74.54 -24.03 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.572 ' OG ' HG21 ' A' ' 925' ' ' VAL . 0.1 OUTLIER -84.06 -30.07 26.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.546 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.1 OUTLIER -39.46 -52.9 4.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.91 -34.55 3.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.6 t -47.59 -27.1 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.83 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.6 mm? -108.72 157.65 36.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -74.98 148.44 35.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -56.03 118.44 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.4 t 156.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.686 HG21 ' CB ' ' A' 1042 ' ' ALA . 6.6 t -116.05 37.62 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.472 ' NE2' ' N ' ' A' ' 979' ' ' SER . 0.0 OUTLIER -82.36 -77.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -38.99 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -40.03 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.79 HD11 ' CG1' ' A' 1039 ' ' ILE . 6.7 mt -54.04 -51.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.69 -45.84 81.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 26.8 mtp -66.17 -27.77 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.894 ' HB1' HD22 ' A' 1035 ' ' LEU . . . -71.44 -41.19 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -53.05 -51.42 61.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.94 70.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -54.91 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.572 ' HG ' HD11 ' A' ' 962' ' ' LEU . 2.1 tp -56.17 -57.36 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -49.5 17.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -70.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.684 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.8 OUTLIER -48.38 -42.34 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.592 HD12 ' HA2' ' A' ' 959' ' ' GLY . 0.5 OUTLIER -54.7 -62.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.75 -51.49 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.759 HD13 HD11 ' A' 1028 ' ' LEU . 6.2 tt -75.45 -42.84 52.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.552 HD13 ' CG1' ' A' ' 955' ' ' VAL . 6.0 mm -58.92 -48.55 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -57.73 -51.6 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -43.02 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 4.2 ttp -66.64 -59.92 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.14 -31.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1007 ' ' GLN . 10.7 mt -83.07 -57.62 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.676 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -44.66 -38.76 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.815 ' HG3' HG23 ' A' ' 952' ' ' VAL . 0.8 OUTLIER -53.88 -36.51 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' 1004 ' ' LEU . 13.3 tt0 -98.66 -29.55 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.629 ' HD1' HD11 ' A' 1013 ' ' LEU . 33.9 m-85 -88.89 32.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.907 HG23 ' HG3' ' A' 1014 ' ' GLN . 6.7 p -120.94 -47.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.956 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -61.52 -18.24 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.956 HG23 ' CE ' ' A' 1010 ' ' MET . 0.0 OUTLIER -70.56 -78.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.98 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.943 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' 1013 ' ' LEU . 3.7 pp -80.03 52.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.907 ' HG3' HG23 ' A' 1009 ' ' VAL . 1.1 tt0 -79.36 -67.51 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -29.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -63.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -64.34 -38.55 91.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.14 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -49.21 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -43.69 -50.96 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -48.03 61.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -50.04 -47.85 53.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.9 m -45.36 -55.04 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.03 86.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -49.28 -34.35 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.52 -58.19 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.29 77.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.759 HD11 HD13 ' A' ' 998' ' ' LEU . 6.8 mt -55.22 -66.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.54 -43.69 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.4 t -68.3 -51.36 48.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -46.54 -51.85 14.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.538 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -60.32 -34.7 74.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -68.15 -57.37 6.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -49.84 -23.63 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.894 HD22 ' HB1' ' A' ' 987' ' ' ALA . 0.4 OUTLIER -64.95 -67.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 1.009 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.9 -41.26 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' 1036 ' ' LEU . 51.8 t0 -37.83 -52.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' 1039 ' ' ILE . 0.3 OUTLIER -62.09 -48.83 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.83 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.0 mt -54.21 -45.38 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -36.66 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.683 ' HA ' HD21 ' A' 1044 ' ' LEU . 1.3 mt-30 -70.17 -23.61 63.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.686 ' CB ' HG21 ' A' ' 980' ' ' THR . . . -82.69 -56.96 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' 1042 ' ' ALA . 1.3 ttt-85 -38.91 -47.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' 1045 ' ' LYS . 4.5 pp -63.19 -47.67 81.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.792 ' N ' HD12 ' A' 1044 ' ' LEU . 28.5 tttp -41.18 -28.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 29.1 ttp -88.1 -49.28 7.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' 1048 ' ' SER . 2.2 mt -44.98 -71.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . 0.484 ' N ' HG22 ' A' 1047 ' ' ILE . 0.1 OUTLIER -78.39 75.66 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -169.71 -65.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.5 t -175.53 90.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 119.39 76.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -80.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 6.0 m80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.562 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.501 0.191 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -55.31 110.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 917' ' ' ASN . 0.9 OUTLIER -85.92 137.95 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.78 73.05 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -99.78 -64.6 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . 0.484 ' HG2' HG22 ' A' ' 975' ' ' VAL . 3.8 mtm180 -87.45 78.93 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.38 59.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.498 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.8 OUTLIER -75.51 -31.48 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.02 -49.14 66.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.981 HG22 HG22 ' A' ' 968' ' ' THR . 15.4 t -62.71 -40.47 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.666 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.3 m-85 -73.93 -25.26 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 4.2 mm-40 -67.99 -67.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -44.33 -56.05 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 925' ' ' VAL . 53.7 t -40.47 -59.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.5 p -67.0 -64.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.46 -45.17 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -73.16 -51.41 17.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.734 ' O ' HD12 ' A' ' 937' ' ' ILE . 0.9 OUTLIER -52.5 -50.91 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -43.71 65.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.16 -49.32 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.61 HG23 HD12 ' A' ' 932' ' ' LEU . 3.6 t -38.82 -42.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 933' ' ' VAL . 4.4 mp -84.06 -64.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -38.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 942' ' ' LYS . 5.8 ttm -52.41 -68.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.53 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.2 m -41.68 -30.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.7 t -67.33 -45.63 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.67 22.45 15.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.793 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.18 -52.57 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.518 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.7 OUTLIER -39.88 -54.19 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -75.0 -53.8 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -32.47 128.33 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.462 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.99 177.25 8.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.5 Cg_endo -75.0 -19.2 18.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -16.46 40.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.457 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -110.83 -3.78 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.793 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 3.1 t80 -93.15 -35.99 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' 1006 ' ' GLN . 0.9 OUTLIER -53.17 -47.22 96.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.04 -50.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -34.08 -71.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 999' ' ' ILE . 13.7 t -53.74 -53.76 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 955' ' ' VAL . 1.7 mmtt -38.89 -32.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.91 -58.33 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.08 -42.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.68 -43.22 94.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -45.41 93.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.29 -57.37 8.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 1.045 HD13 HD22 ' A' ' 995' ' ' LEU . 2.1 mt -49.77 -50.24 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -59.69 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 5.9 m -61.65 -39.02 89.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 969' ' ' VAL . 4.4 tt -60.84 -36.33 78.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -54.26 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.87 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.981 HG22 HG22 ' A' ' 925' ' ' VAL . 31.5 m -52.65 -44.37 66.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 965' ' ' LEU . 6.3 t -54.9 -45.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -48.25 -44.21 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.496 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 7.5 mt-10 -72.9 -22.09 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.588 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.3 OUTLIER -85.51 -27.64 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.69 -51.47 9.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.0 -36.89 2.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.532 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 7.3 t -47.02 -32.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.81 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -110.14 144.65 30.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -58.96 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.2 OUTLIER 85.51 -44.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.714 ' OG1' HG22 ' A' 1038 ' ' VAL . 11.7 t -111.65 40.88 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -83.97 -84.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 985' ' ' GLU . 0.0 OUTLIER -55.98 -54.38 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.606 ' HB3' HG21 ' A' 1038 ' ' VAL . 0.4 OUTLIER -40.62 -43.05 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 1.082 HD11 ' CG1' ' A' 1039 ' ' ILE . 0.3 OUTLIER -65.78 -45.05 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.6 OUTLIER -60.29 -36.67 78.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -36.16 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -65.7 -21.23 66.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.654 ' CD ' HG21 ' A' ' 969' ' ' VAL . 3.5 mm-40 -79.41 -45.76 18.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -39.19 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . 0.57 HD22 ' OD2' ' A' 1031 ' ' ASP . 0.7 OUTLIER -61.17 -47.12 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.751 HD21 HD23 ' A' ' 962' ' ' LEU . 39.2 tp -54.42 -53.19 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t-20 -56.78 -61.76 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.87 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.53 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.93 -30.12 70.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 1.045 HD22 HD13 ' A' ' 962' ' ' LEU . 0.4 OUTLIER -67.71 -58.13 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -45.59 -47.57 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -54.79 -36.32 64.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.531 ' C ' HD23 ' A' ' 998' ' ' LEU . 7.0 tt -71.69 -46.64 58.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.508 HD13 ' CG1' ' A' ' 955' ' ' VAL . 3.5 mm -51.11 -48.79 30.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 41.7 t30 -57.01 -54.99 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -42.54 -36.51 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -79.29 -45.53 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -28.11 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.48 -50.49 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.595 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -50.55 -27.64 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.639 ' HG3' HG23 ' A' ' 952' ' ' VAL . 20.9 tm0? -62.35 -34.09 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.9 -26.22 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.712 ' HD1' HD11 ' A' 1013 ' ' LEU . 21.6 m-85 -88.67 23.87 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.609 HG23 ' HG3' ' A' 1014 ' ' GLN . 3.1 p -109.88 -45.72 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.505 ' CE ' ' OG1' ' A' 1011 ' ' THR . 0.0 OUTLIER -68.66 -13.22 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.529 HG22 ' N ' ' A' 1012 ' ' SER . 1.2 m -73.05 -83.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.529 ' N ' HG22 ' A' 1011 ' ' THR . 0.2 OUTLIER -178.32 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.712 HD11 ' HD1' ' A' 1008 ' ' TYR . 1.9 pp -79.41 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.609 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.8 OUTLIER -77.72 -60.18 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.401 ' N ' ' OE1' ' A' 1014 ' ' GLN . 2.0 pt20 -47.9 -24.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -70.42 -61.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.564 ' HD1' HD12 ' A' 1013 ' ' LEU . 3.0 m-85 -63.23 -14.44 49.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.405 ' HE2' ' CA ' ' A' 1018 ' ' LYS . 0.0 OUTLIER -75.96 -45.18 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -13.99 61.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -73.3 -66.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' 1022 ' ' LEU . 5.4 ppp? -52.55 -33.43 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.759 HD13 ' C ' ' A' 1022 ' ' LEU . 1.6 tm? -58.37 -56.37 22.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -43.33 -48.47 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.53 -27.37 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -56.96 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.63 -35.05 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.53 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -61.13 -63.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.641 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -41.58 -40.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.7 t -73.25 -49.88 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.57 ' OD2' HD22 ' A' ' 990' ' ' LEU . 5.4 t0 -40.23 -54.34 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.35 80.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 7.1 tptt -55.78 -40.34 72.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -56.94 -45.54 82.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.552 ' O ' HG12 ' A' 1038 ' ' VAL . 5.8 tt -46.22 -54.71 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -70.82 -42.0 70.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -41.02 -59.56 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.714 HG22 ' OG1' ' A' ' 980' ' ' THR . 5.9 p -55.31 -40.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 1.082 ' CG1' HD11 ' A' ' 984' ' ' ILE . 10.7 mt -61.46 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -40.17 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.686 ' HA ' HD21 ' A' 1044 ' ' LEU . 33.1 mt-30 -70.1 -22.74 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.609 ' HB2' ' CG2' ' A' ' 980' ' ' THR . . . -84.74 -41.22 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.591 ' O ' HD12 ' A' 1047 ' ' ILE . 0.2 OUTLIER -52.43 -44.83 65.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -66.05 -46.95 75.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.494 ' N ' HD12 ' A' 1044 ' ' LEU . 14.2 mttm -40.92 -29.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' 1044 ' ' LEU . 13.1 ttp -87.86 -55.8 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' 1043 ' ' ARG . 2.4 mt -48.41 -42.76 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -51.48 62.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 85.33 5.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.42 -77.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -102.3 132.98 20.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.591 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.456 0.169 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.18 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -88.02 70.58 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 6.9 mp -124.81 62.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . 0.479 ' CA ' ' OD1' ' A' ' 922' ' ' ASN . 6.2 p-10 -110.09 43.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -88.18 -53.39 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 3.3 m -77.5 -34.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 25.8 p-10 -71.31 -8.2 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.02 -45.59 26.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -59.37 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.893 ' O ' HG23 ' A' ' 929' ' ' VAL . 91.6 t -44.06 -52.6 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 1.052 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -61.65 -37.91 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.68 -54.83 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -50.05 -38.34 37.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 925' ' ' VAL . 83.9 t -66.32 -62.0 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.1 p -44.97 -63.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.41 -28.13 13.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.48 HD12 HG23 ' A' ' 936' ' ' VAL . 0.2 OUTLIER -73.6 -61.93 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' 1029 ' ' ALA . 15.8 m -60.23 -35.45 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.7 mmpt? -56.02 -40.4 73.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.22 -43.72 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 932' ' ' LEU . 6.2 t -39.03 -42.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 938' ' ' GLU . 60.2 mt -84.79 -66.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -32.47 -41.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 36.2 ttm -49.79 -71.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 48.2 m -40.96 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -48.92 69.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.6 OUTLIER -103.61 23.75 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 1.007 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.16 -52.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.509 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 2.0 tt0 -42.97 -52.32 11.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.97 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.79 133.26 0.43 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.95 177.39 8.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.04 -16.07 20.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 -25.72 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.444 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -98.14 -6.01 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 1.007 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.94 -45.78 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -48.75 -48.15 70.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.788 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.473 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 4.8 ttp -33.95 -52.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.67 HG21 ' CG ' ' A' 1002 ' ' MET . 2.3 t -62.73 -55.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.24 -34.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -58.93 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -40.27 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -62.08 -39.68 97.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -39.89 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.98 73.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.908 HD13 HD22 ' A' ' 995' ' ' LEU . 2.1 mt -55.62 -50.53 69.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -48.56 -55.26 11.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 15.0 m -62.08 -38.5 89.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.95 -41.46 67.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 962' ' ' LEU . 8.6 mp -57.81 -58.1 9.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.23 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.459 ' C ' HG22 ' A' ' 925' ' ' VAL . 26.1 p -49.46 -45.86 47.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.427 ' H ' ' HG1' ' A' ' 968' ' ' THR . 2.7 t -57.66 -40.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.66 -33.85 35.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 975' ' ' VAL . 12.7 mt-10 -81.7 -23.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.549 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -85.1 -33.86 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 984' ' ' ILE . 0.8 OUTLIER -39.89 -50.93 5.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.537 ' HD2' ' C ' ' A' ' 971' ' ' GLU . 18.3 Cg_endo -74.98 -35.14 3.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 971' ' ' GLU . 26.3 t -48.49 -26.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.82 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.8 mm? -107.54 158.05 34.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.1 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 977' ' ' PRO . . . -47.17 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 15.4 m 68.84 26.85 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.617 ' CG2' ' HB1' ' A' 1042 ' ' ALA . 1.0 OUTLIER -116.45 -63.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 1.8 p80 -43.49 -27.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 980' ' ' THR . 1.4 ttp180 -77.69 -68.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.929 ' HB3' HG11 ' A' 1038 ' ' VAL . 15.7 mt-10 -56.75 -44.26 81.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.633 HG21 HD21 ' A' ' 973' ' ' LEU . 1.6 mp -58.02 -32.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -68.56 -39.23 81.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.21 62.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.78 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -78.66 -26.83 45.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -57.06 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.637 HD21 HD23 ' A' ' 962' ' ' LEU . 22.3 tp -51.1 -63.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.58 ' HA ' HD23 ' A' ' 995' ' ' LEU . 0.6 OUTLIER -42.79 -55.87 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.24 -70.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -53.66 -33.97 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.908 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.55 -59.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -58.31 -49.44 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.16 -29.32 30.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 998' ' ' LEU . 0.8 OUTLIER -75.6 -53.1 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.639 HD13 HG13 ' A' ' 955' ' ' VAL . 34.1 mm -44.48 -41.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.449 ' CG ' HD11 ' A' 1004 ' ' LEU . 52.8 t30 -59.45 -61.59 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' 1004 ' ' LEU . 1.4 mptt -47.5 -23.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.67 ' CG ' HG21 ' A' ' 955' ' ' VAL . 0.5 OUTLIER -87.12 -53.04 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.2 mtpt -52.38 -29.72 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' 1001 ' ' LYS . 1.5 mt -78.03 -51.06 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' 1009 ' ' VAL . . . -39.28 -48.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.484 ' HG3' HG23 ' A' ' 952' ' ' VAL . 5.3 tm0? -39.18 -46.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.47 -34.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 54.9 m-85 -87.65 39.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' 1014 ' ' GLN . 4.5 t -129.27 -48.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -36.36 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' 1013 ' ' LEU . 9.9 t -104.4 161.76 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -44.12 -32.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.766 ' HB2' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -40.25 -29.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' 1009 ' ' VAL . 1.4 tt0 -35.9 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 20.3 pt20 -37.09 -40.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.672 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.3 OUTLIER -54.7 -56.4 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.662 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 6.1 m-85 -67.5 -30.42 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.412 ' HD2' HG23 ' A' ' 943' ' ' ILE . 12.0 mmtt -53.86 -39.13 65.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -71.69 -44.28 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -52.16 -59.14 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.477 ' HG2' ' CD2' ' A' ' 998' ' ' LEU . 0.0 OUTLIER -49.65 -41.8 43.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' 1022 ' ' LEU . 3.3 tm? -57.74 -43.26 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -49.54 -49.62 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.42 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -51.43 -31.53 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.21 -56.89 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.73 76.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' 1028 ' ' LEU . 9.3 mt -55.06 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.621 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -38.6 -42.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -69.03 -53.84 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -41.52 -63.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.507 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -52.86 -32.94 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.0 OUTLIER -68.9 -57.34 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -46.61 -30.92 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.19 -68.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 1.052 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -63.41 -40.04 96.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' 1036 ' ' LEU . 28.1 t0 -39.01 -53.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.929 HG11 ' HB3' ' A' ' 983' ' ' GLU . 76.8 t -60.3 -43.47 93.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.82 HG23 ' HG ' ' A' ' 976' ' ' LEU . 11.3 mt -56.38 -46.88 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -49.69 -38.07 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.53 ' HA ' HD21 ' A' 1044 ' ' LEU . 7.7 mt-30 -77.39 -23.3 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.617 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -80.65 -46.17 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -51.94 -49.22 63.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.851 HD12 ' N ' ' A' 1045 ' ' LYS . 4.4 pp -60.14 -42.9 95.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.851 ' N ' HD12 ' A' 1044 ' ' LEU . 1.1 tptp -40.06 -31.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.1 OUTLIER -82.81 -50.84 8.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.3 mt -49.05 -43.76 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.38 58.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -96.8 -23.12 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 172.31 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.038 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.41 125.92 60.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.237 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 918' ' ' LEU . . . -46.12 111.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -75.67 76.88 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . 0.449 HD13 ' HB1' ' A' ' 916' ' ' ALA . 3.0 mp -124.2 109.11 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.07 -174.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -82.47 52.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.2 m -85.48 -86.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.513 ' HB3' HG11 ' A' ' 975' ' ' VAL . 11.8 p-10 -70.67 -8.73 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -76.04 -45.96 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -63.78 -54.35 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.871 ' O ' HG23 ' A' ' 929' ' ' VAL . 23.3 t -49.51 -54.58 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.963 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -61.38 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.13 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.639 ' HB3' HD12 ' A' ' 965' ' ' LEU . 1.1 t-20 -53.01 -24.12 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 925' ' ' VAL . 37.4 t -72.97 -39.29 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 926' ' ' TYR . 45.8 p -83.58 -29.09 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -62.51 -60.37 7.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.978 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -60.57 -40.31 91.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.978 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.3 t -65.22 -45.83 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -55.37 -48.39 74.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -68.64 -45.1 72.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 932' ' ' LEU . 1.6 t -37.62 -41.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 938' ' ' GLU . 9.7 mt -84.8 -67.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -36.81 -42.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.92 -62.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.785 ' CB ' HD23 ' A' 1022 ' ' LEU . 0.1 OUTLIER -50.16 -38.71 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -47.19 68.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.745 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.36 20.61 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 940' ' ' SER . 1.3 mt -96.51 -61.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.563 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -47.1 -48.32 54.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -74.98 -13.93 21.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -89.44 135.09 31.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.441 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.99 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -74.98 -20.99 16.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -11.05 56.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -116.88 -3.51 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' 1002 ' ' MET . 1.1 t80 -92.14 -41.24 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -48.64 -47.83 70.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.03 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.543 ' HE1' ' HA ' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -33.57 -52.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 999' ' ' ILE . 0.4 OUTLIER -65.62 -50.52 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.49 ' N ' ' CG1' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -40.17 -35.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.19 -54.56 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -42.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -59.39 -44.37 96.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -50.9 71.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.96 55.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 995' ' ' LEU . 5.3 mt -55.78 -52.8 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . 0.528 ' HA ' HD23 ' A' ' 966' ' ' LEU . 0.0 OUTLIER -49.19 -55.7 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.822 ' O ' HG23 ' A' ' 968' ' ' THR . 3.5 m -50.77 -34.06 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.9 OUTLIER -55.41 -51.8 65.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 963' ' ' ARG . 2.8 mm? -48.43 -44.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -67.08 -63.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 964' ' ' THR . 73.2 p -44.17 -42.6 6.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 965' ' ' LEU . 57.2 t -55.62 -47.87 78.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.934 ' HA ' HD12 ' A' ' 973' ' ' LEU . 5.1 t0 -53.05 -22.4 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.489 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 4.9 tt0 -79.88 -21.3 44.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.513 ' OG ' HG11 ' A' ' 925' ' ' VAL . 0.0 OUTLIER -89.14 -15.24 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.934 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.3 OUTLIER -58.24 -50.34 88.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.03 -40.51 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 922' ' ' ASN . 20.9 t -58.56 -25.75 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.3 OUTLIER -105.67 164.06 15.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.58 5.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.33 53.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.71 7.62 3.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.912 HG22 ' CB ' ' A' 1042 ' ' ALA . 1.1 p -117.95 39.52 3.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 984' ' ' ILE . 30.3 m170 -84.46 -110.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -44.32 -33.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.793 ' HB3' HG11 ' A' 1038 ' ' VAL . 2.5 mt-10 -60.91 -42.72 98.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.802 HD11 HG13 ' A' 1039 ' ' ILE . 22.6 mm -73.29 -38.16 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.27 -27.4 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -43.65 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.0 -20.01 46.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.526 ' OE1' HD13 ' A' ' 966' ' ' LEU . 1.6 mm100 -76.51 -51.06 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -50.98 67.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 995' ' ' LEU . 26.7 tp -45.44 -67.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.402 ' HA ' HD23 ' A' ' 995' ' ' LEU . 32.6 t-20 -50.5 -61.66 2.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 23.2 t -41.13 -60.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.551 ' CG ' HD21 ' A' 1028 ' ' LEU . 0.9 OUTLIER -59.4 -38.72 81.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -53.27 -57.74 9.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.83 -46.01 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.95 -33.77 57.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 8.5 tt -75.8 -50.64 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.599 HD13 HG22 ' A' ' 955' ' ' VAL . 21.2 mm -53.54 -50.62 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 11.9 t30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 2.3 tptt -52.96 -47.74 67.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -62.66 -51.12 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -42.42 -42.43 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' 1008 ' ' TYR . 8.1 mt -77.51 -36.64 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' 1002 ' ' MET . . . -51.97 -21.6 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -91.6 -24.1 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.9 OUTLIER -95.9 -11.11 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.804 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 0.2 OUTLIER -102.04 -37.67 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' 1011 ' ' THR . 3.0 p -41.13 -42.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.748 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -36.76 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.748 HG23 ' CE ' ' A' 1010 ' ' MET . 73.1 p -96.96 -139.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.47 -4.56 10.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' 1016 ' ' GLU . 3.3 mm? -65.68 -11.62 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.447 ' OE1' ' NE2' ' A' ' 944' ' ' GLN . 1.2 tt0 -36.86 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.71 -32.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -66.84 -54.96 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.804 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 1.4 m-85 -69.51 -24.81 63.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.43 ' HE3' HG22 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -62.13 -42.34 99.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -32.85 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -56.84 -61.74 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 943' ' ' ILE . 13.4 ptm -59.29 -25.67 64.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.785 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.4 tm? -67.69 -47.48 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.8 m -50.7 -47.16 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.75 93.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -52.72 -31.15 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -57.27 8.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -68.69 -35.58 77.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.551 HD21 ' CG ' ' A' ' 994' ' ' ASP . 0.2 OUTLIER -59.28 -63.63 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.518 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.7 -44.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.85 -45.17 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' 1028 ' ' LEU . 3.5 t70 -41.8 -55.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.69 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -56.51 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -43.28 -42.0 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 3.8 tt -48.76 -65.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.963 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.59 -39.21 91.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -43.15 -44.23 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 983' ' ' GLU . 67.7 t -68.86 -38.46 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.802 HG13 HD11 ' A' ' 984' ' ' ILE . 4.5 mt -56.87 -51.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.68 -43.4 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.769 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.0 OUTLIER -70.84 -29.35 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.912 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -72.57 -48.62 38.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.449 ' CA ' HD13 ' A' ' 976' ' ' LEU . 0.0 OUTLIER -46.01 -64.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' 1041 ' ' GLN . 2.2 pp -43.38 -44.18 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.567 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -41.46 -31.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 30.8 ttp -88.11 -53.24 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.5 mt -46.13 -54.35 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 83.0 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.01 88.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 20.1 t 42.76 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -68.65 122.2 83.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -69.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.498 0.189 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -96.92 -171.5 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.47 113.91 22.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.26 109.48 14.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.73 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.62 36.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 89.5 p -85.9 -58.5 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.1 p30 -65.47 -19.16 65.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.01 -36.31 61.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -55.22 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 968' ' ' THR . 11.9 t -57.69 -45.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.919 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -65.37 -29.47 70.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.67 -64.31 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.591 ' OD1' HG21 ' A' ' 968' ' ' THR . 18.9 m120 -44.48 -51.02 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.592 ' O ' HD13 ' A' ' 932' ' ' LEU . 3.9 t -43.72 -56.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 926' ' ' TYR . 81.3 p -70.24 -24.06 63.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -61.73 -76.16 0.26 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.902 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -50.7 -39.93 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.902 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.5 t -60.53 -58.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.85 -35.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -80.74 -47.04 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 935' ' ' ALA . 2.9 t -38.33 -40.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.0 mt -82.44 -68.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -37.0 -46.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.471 ' O ' ' CG1' ' A' ' 943' ' ' ILE . 40.0 mtp -44.7 -60.25 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.579 ' HB2' HD23 ' A' 1022 ' ' LEU . 74.3 p -46.82 -39.03 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.911 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -88.35 29.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.2 OUTLIER -93.89 -60.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.561 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -41.89 -49.41 10.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.02 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.84 124.52 0.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 951' ' ' TYR . 18.1 Cg_endo -75.07 177.74 8.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.99 -13.31 21.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.45 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -105.17 -11.08 16.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.521 ' CB ' ' O ' ' A' ' 947' ' ' PRO . 16.6 t80 -90.79 -40.1 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.63 -48.79 48.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.451 ' CE ' ' HE3' ' A' ' 942' ' ' LYS . 2.8 ttm -34.85 -54.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' 1002 ' ' MET . 37.2 t -65.65 -53.41 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -43.31 -38.75 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.3 OUTLIER -59.14 -62.15 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -39.82 -39.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -58.55 -50.55 65.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.5 OUTLIER -52.45 -49.47 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 932' ' ' LEU . . . -51.58 -54.2 30.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.791 HD13 HD13 ' A' ' 995' ' ' LEU . 2.5 mt -55.73 -49.33 73.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -53.59 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 4.7 m -62.0 -41.91 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.985 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.0 OUTLIER -51.7 -50.43 60.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 962' ' ' LEU . 9.9 mp -47.71 -57.43 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.03 84.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.855 HG22 HG22 ' A' ' 925' ' ' VAL . 10.2 m -53.87 -44.82 70.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 965' ' ' LEU . 22.3 t -55.35 -46.27 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 40.5 t0 -49.1 -39.23 27.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 975' ' ' VAL . 6.4 mt-10 -73.46 -24.0 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.993 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.33 -30.56 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.585 HD22 ' CE1' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -38.4 -52.26 3.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.95 -36.9 2.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.792 ' C ' HD13 ' A' ' 976' ' ' LEU . 55.1 t -47.99 -33.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 972' ' ' SER . 0.0 OUTLIER -102.8 151.62 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 979' ' ' SER . . . -53.05 111.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 978' ' ' ALA . 10.1 p 167.52 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.961 ' OG1' HG12 ' A' 1038 ' ' VAL . 5.4 t -108.6 0.15 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.585 ' CE1' HD22 ' A' ' 973' ' ' LEU . 7.9 m-70 -49.92 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.71 -67.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.786 ' CB ' HG11 ' A' 1038 ' ' VAL . 38.8 mt-10 -45.89 -43.54 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.938 HD11 HG12 ' A' 1039 ' ' ILE . 2.8 mt -62.63 -41.75 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -45.43 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -21.0 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.453 ' NE2' HG21 ' A' ' 969' ' ' VAL . 2.5 mm-40 -73.67 -43.86 58.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -63.23 -27.34 69.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . 0.533 HD22 ' OD1' ' A' 1031 ' ' ASP . 0.5 OUTLIER -72.24 -58.5 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.663 HD21 HD23 ' A' ' 962' ' ' LEU . 40.8 tp -56.89 -56.55 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 995' ' ' LEU . 16.3 t30 -46.1 -45.46 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.76 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.554 ' HB3' HD21 ' A' 1028 ' ' LEU . 1.8 m-20 -49.28 -30.52 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.791 HD13 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -59.43 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.59 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -45.39 -34.08 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.573 HD12 HG13 ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.38 -51.66 28.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.411 HD13 HG12 ' A' ' 955' ' ' VAL . 17.7 mm -56.11 -49.72 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.67 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -45.38 4.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.642 ' CB ' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -63.01 -47.88 81.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -53.61 -22.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' 1008 ' ' TYR . 12.4 mt -91.54 -44.03 9.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -52.86 -19.39 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.472 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 2.3 tt0 -88.06 -28.45 21.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' 1004 ' ' LEU . 2.4 tm0? -100.25 -4.14 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.493 ' CZ ' ' OH ' ' A' 1017 ' ' TYR . 10.5 m-85 -112.05 -8.66 14.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1011 ' ' THR . 2.4 p -73.42 -38.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.555 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.555 HG23 ' CE ' ' A' 1010 ' ' MET . 62.3 p -104.37 -108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.455 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -156.42 23.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' 1014 ' ' GLN . 1.2 mm? -81.12 -25.92 36.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' 1013 ' ' LEU . 0.0 OUTLIER -37.53 -59.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -42.6 -50.05 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.7 -55.22 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.493 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 17.6 m-85 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 8.3 mttm -48.15 -36.82 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -30.18 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' 1017 ' ' TYR . 76.6 mm-40 -62.47 -60.7 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 4.6 ppp? -58.31 -31.17 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.579 HD23 ' HB2' ' A' ' 940' ' ' SER . 2.7 tm? -56.6 -50.1 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.5 m -56.27 -41.49 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.84 81.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -61.66 -31.76 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -72.72 -50.91 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.588 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.31 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 994' ' ' ASP . 10.3 mt -55.62 -67.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.37 -45.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -67.64 -48.45 76.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.533 ' OD1' HD22 ' A' ' 990' ' ' LEU . 26.0 m-20 -49.5 -57.59 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.62 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' 1035 ' ' LEU . 3.0 tptt -69.7 -63.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' 1038 ' ' VAL . 9.2 p30 -45.16 -26.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' 1034 ' ' ASN . 5.9 tt -62.28 -67.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.919 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -41.02 -52.03 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.961 HG12 ' OG1' ' A' ' 980' ' ' THR . 84.5 t -63.44 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.956 HG23 ' HG ' ' A' ' 976' ' ' LEU . 54.6 mt -59.84 -43.13 91.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . 0.542 ' O ' ' CD2' ' A' 1044 ' ' LEU . 1.1 t0 -51.42 -45.2 62.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -62.24 -25.43 67.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -75.67 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 1042 ' ' ALA . 4.1 ttp-105 -35.28 -66.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' 1040 ' ' ASP . 0.2 OUTLIER -47.91 -47.07 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -44.22 -26.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -84.96 -47.24 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.3 -69.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.53 72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 174.93 -168.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 29.8 t -92.2 76.04 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 109.29 1.39 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.32 16.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . 0.455 ' C ' ' CD2' ' A' 1053 ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.511 0.196 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.41 -49.34 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -86.3 109.59 19.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.72 109.46 13.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.77 47.16 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.98 -37.29 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -65.51 -24.59 67.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 927' ' ' GLU . 17.7 t0 -77.63 -39.9 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -56.55 -48.66 76.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 968' ' ' THR . 61.2 t -56.28 -46.74 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.716 ' CD1' HD11 ' A' 1036 ' ' LEU . 5.6 m-30 -71.19 -25.39 62.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 923' ' ' ASP . 13.6 mm-40 -71.68 -42.72 67.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.56 -53.62 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.591 HG22 HD12 ' A' ' 965' ' ' LEU . 9.9 t -48.52 -52.04 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.2 p -59.48 -57.43 13.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.3 -25.08 25.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.795 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -75.68 -59.88 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.561 ' O ' HD12 ' A' ' 937' ' ' ILE . 29.4 m -63.3 -35.19 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -38.32 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -86.45 -45.64 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 933' ' ' VAL . 0.4 OUTLIER -38.87 -40.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.561 HD12 ' O ' ' A' ' 933' ' ' VAL . 5.7 mt -84.44 -67.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.62 -42.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.505 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.4 mtp -45.22 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.562 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.0 m -41.54 -32.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 0.6 OUTLIER -61.0 -53.0 62.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.815 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.15 28.82 6.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -93.64 -51.22 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -42.98 -52.97 10.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.815 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.5 125.79 0.51 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.437 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.05 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.05 -15.92 20.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.34 -18.09 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.423 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -110.23 -5.92 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.693 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 9.2 t80 -92.2 -41.11 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -46.85 -48.67 50.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.99 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.02 -53.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' A' 1002 ' ' MET . 29.4 t -68.69 -52.79 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -40.69 -33.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.79 -57.18 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.473 ' O ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.56 -38.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -62.68 -39.39 97.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -37.86 87.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -55.57 -56.92 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.881 ' O ' HD12 ' A' ' 966' ' ' LEU . 4.2 mm? -50.42 -48.18 56.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -47.06 -51.55 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 965' ' ' LEU . 4.2 m -64.49 -52.26 58.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.0 OUTLIER -39.15 -39.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 962' ' ' LEU . 1.4 mp -63.49 -62.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -49.53 -58.54 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 968' ' ' THR . 72.7 p -51.39 -41.48 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 965' ' ' LEU . 3.1 t -61.36 -42.98 95.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.1 t0 -48.89 -38.06 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 975' ' ' VAL . 27.7 mt-10 -75.72 -25.01 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.489 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 1.5 t -85.0 -27.01 26.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.1 OUTLIER -42.49 -52.93 9.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -35.54 3.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.792 HG12 HD22 ' A' ' 976' ' ' LEU . 40.2 t -47.22 -33.04 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.792 HD22 HG12 ' A' ' 975' ' ' VAL . 0.9 OUTLIER -106.92 148.32 36.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.657 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.03 158.76 41.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.11 176.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 0.5 OUTLIER 87.61 -17.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.872 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 2.6 t -116.25 -12.98 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 982' ' ' ARG . 14.8 m170 -67.83 -56.65 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 13.3 mtm-85 -37.39 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.476 ' HB3' HG21 ' A' 1038 ' ' VAL . 1.4 tt0 -50.72 -41.83 56.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.835 HD11 ' CG1' ' A' 1039 ' ' ILE . 4.8 mt -53.64 -45.78 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -47.96 73.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.6 mtm -73.58 -29.28 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.87 -24.54 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -80.51 -44.72 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.11 -37.98 78.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -59.37 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.606 HD12 HD22 ' A' 1028 ' ' LEU . 28.7 tp -53.7 -43.94 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 995' ' ' LEU . 13.4 m-80 -63.13 -43.03 99.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.662 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.3 m-20 -53.96 -31.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -59.13 -57.75 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.86 -53.91 49.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.32 -31.73 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 5.5 tt -71.21 -50.87 28.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.503 HD13 ' CG1' ' A' ' 955' ' ' VAL . 26.5 mm -48.85 -48.78 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -62.67 -53.67 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.645 ' HA ' HD12 ' A' 1004 ' ' LEU . 6.5 mmmt -41.16 -42.61 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.654 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.7 OUTLIER -65.62 -47.46 75.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -56.11 -26.64 50.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' 1001 ' ' LYS . 7.1 mt -83.95 -55.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 1.041 ' O ' HG23 ' A' 1009 ' ' VAL . . . -44.71 -45.14 9.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.404 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.8 OUTLIER -41.95 -43.96 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' 1009 ' ' VAL . 4.9 tt0 -74.48 -75.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.705 ' CZ ' ' CE1' ' A' 1017 ' ' TYR . 49.6 m-85 -28.86 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 1.041 HG23 ' O ' ' A' 1005 ' ' ALA . 53.7 t -36.36 -52.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.523 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -29.43 -71.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.739 HG23 ' H ' ' A' 1013 ' ' LEU . 15.3 t -71.12 -145.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.602 ' N ' HG23 ' A' 1011 ' ' THR . 60.7 p -112.6 -24.46 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.739 ' H ' HG23 ' A' 1011 ' ' THR . 1.0 OUTLIER -38.86 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.885 ' NE2' HG22 ' A' 1009 ' ' VAL . 20.9 tt0 -38.25 -55.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' 1012 ' ' SER . 0.6 OUTLIER -38.64 -42.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.424 ' CB ' HD23 ' A' 1013 ' ' LEU . 6.1 tt0 -61.3 -54.11 48.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.705 ' CE1' ' CZ ' ' A' 1008 ' ' TYR . 1.7 m-85 -59.08 -35.85 74.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.4 ' HE3' ' CD ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -50.57 -48.41 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -52.51 -52.85 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.464 ' SD ' ' CE ' ' A' ' 939' ' ' MET . 0.0 OUTLIER -47.04 -52.49 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.76 -48.48 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.62 89.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.53 -33.93 10.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.56 -53.71 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.31 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.662 HD21 ' CB ' ' A' ' 994' ' ' ASP . 9.5 mt -58.2 -66.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -38.67 -39.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 45.8 t -74.4 -52.2 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.458 ' OD2' HD23 ' A' 1028 ' ' LEU . 96.1 m-20 -42.18 -59.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -57.08 -33.63 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.7 OUTLIER -66.49 -50.03 64.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -57.5 -19.66 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.475 ' O ' HG12 ' A' 1038 ' ' VAL . 1.5 tt -69.16 -58.29 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.13 -37.28 69.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.9 t70 -43.13 -63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.782 HG22 ' OG1' ' A' ' 980' ' ' THR . 7.4 p -53.81 -42.95 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.835 ' CG1' HD11 ' A' ' 984' ' ' ILE . 12.8 mt -55.22 -44.7 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -39.61 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.702 ' HA ' HD21 ' A' 1044 ' ' LEU . 9.6 tt0 -69.23 -21.82 63.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.872 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -84.98 -56.51 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.417 ' O ' HD12 ' A' 1047 ' ' ILE . 1.6 ttt180 -37.93 -43.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' 1045 ' ' LYS . 4.3 pp -67.04 -49.48 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.797 ' N ' HD12 ' A' 1044 ' ' LEU . 26.2 mttm -40.24 -29.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' 1044 ' ' LEU . 2.9 tmm? -87.03 -54.4 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' 1043 ' ' ARG . 2.5 mt -44.03 -57.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 6.7 t -80.28 59.47 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -157.29 -65.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.43 104.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.14 96.29 34.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.56 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.538 0.209 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.77 141.81 34.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.25 91.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.96 108.25 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -171.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.56 37.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 25.9 p -86.52 -47.28 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -69.56 -26.54 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.77 -49.0 12.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.25 -55.23 5.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.888 HG22 HG22 ' A' ' 968' ' ' THR . 73.1 t -61.82 -70.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.828 ' CD1' HD21 ' A' 1036 ' ' LEU . 5.2 m-30 -38.01 -36.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 928' ' ' ASN . 31.0 mm-40 -65.26 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.517 ' HB3' HD13 ' A' ' 965' ' ' LEU . 3.2 t-20 -39.47 -42.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' 1036 ' ' LEU . 76.3 t -55.4 -64.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 934' ' ' LYS . 80.6 p -55.65 -47.95 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -50.56 -45.58 46.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.1 OUTLIER -74.18 -53.3 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 932' ' ' LEU . 0.5 OUTLIER -55.15 -31.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.0 OUTLIER -61.37 -47.87 83.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.54 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.627 HG23 HD12 ' A' ' 932' ' ' LEU . 2.9 t -40.33 -45.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 938' ' ' GLU . 5.4 mt -83.86 -65.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -36.07 -46.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 943' ' ' ILE . 75.7 mtp -45.14 -63.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.494 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 51.2 m -42.9 -41.34 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 5.0 t -58.44 -65.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.926 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -88.09 31.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 944' ' ' GLN . 0.1 OUTLIER -95.22 -59.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.577 ' N ' HG22 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -43.55 -49.21 18.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.1 Cg_endo -75.01 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.926 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.41 126.58 0.88 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.445 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.1 Cg_endo -75.07 177.04 9.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.05 -14.52 21.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.03 -16.68 27.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.454 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -112.83 -10.07 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 3.6 t80 -91.85 -40.01 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.583 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -49.41 -47.72 76.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.97 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 953' ' ' PRO . 10.2 ttm -34.49 -51.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' 1002 ' ' MET . 13.5 t -71.16 -52.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -41.33 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -56.0 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.665 HG12 ' CD1' ' A' ' 962' ' ' LEU . 74.9 t -40.47 -58.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -43.87 -49.0 7.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -54.88 29.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.09 -58.94 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 932' ' ' LEU . 1.2 mp -53.09 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -48.05 -55.95 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 3.3 m -58.98 -40.48 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 1.033 ' O ' HG23 ' A' ' 969' ' ' VAL . 59.1 tp -55.05 -53.54 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 962' ' ' LEU . 11.0 mp -42.46 -55.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.13 -48.73 80.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.888 HG22 HG22 ' A' ' 925' ' ' VAL . 20.4 m -54.58 -42.65 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 1.033 HG23 ' O ' ' A' ' 965' ' ' LEU . 9.3 t -56.62 -46.48 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.71 -39.1 23.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 22.6 mt-10 -76.81 -23.82 52.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.554 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.88 -26.16 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.522 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.03 -50.82 13.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -35.36 3.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 4.4 t -46.86 -32.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.772 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -109.68 146.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.828 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.3 Cg_endo -74.99 161.92 38.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -52.24 175.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.2 t 87.59 -17.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.913 HG23 HD12 ' A' ' 984' ' ' ILE . 5.7 t -116.25 -17.21 10.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 978' ' ' ALA . 15.8 m170 -62.49 -56.5 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 981' ' ' HIS . 10.7 ttm180 -38.24 -74.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.448 ' HB2' HG11 ' A' 1038 ' ' VAL . 25.7 mt-10 -50.62 -40.35 52.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.913 HD12 HG23 ' A' ' 980' ' ' THR . 7.2 mt -55.1 -52.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -42.7 61.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.1 mtt -71.19 -28.84 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.52 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.523 HE22 HG21 ' A' ' 969' ' ' VAL . 2.4 mm-40 -69.87 -49.84 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -60.59 -34.0 73.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -47.72 74.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.7 HD21 HD23 ' A' ' 962' ' ' LEU . 41.7 tp -57.55 -60.39 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -47.12 -53.46 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -68.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -38.13 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.703 ' CG ' HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.78 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.27 -46.28 24.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.8 -28.89 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 995' ' ' LEU . 2.5 tt -79.54 -48.91 13.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.509 HD13 HG12 ' A' ' 955' ' ' VAL . 4.8 mm -57.46 -55.12 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -52.37 -49.56 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -51.76 -43.01 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.857 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -68.13 -40.48 82.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -55.12 -27.79 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.5 mt -95.96 -33.79 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' 1002 ' ' MET . . . -68.36 -8.29 38.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 952' ' ' VAL . 21.0 tm0? -79.37 -35.11 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' 1009 ' ' VAL . 31.3 tt0 -98.13 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 1.008 ' O ' HG22 ' A' 1011 ' ' THR . 12.6 m-85 -37.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' 1007 ' ' GLN . 2.9 p -41.15 -40.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.53 ' CE ' ' O ' ' A' 1010 ' ' MET . 0.0 OUTLIER -72.74 52.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 1.008 HG22 ' O ' ' A' 1008 ' ' TYR . 6.0 t -175.37 173.91 2.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' 1015 ' ' GLN . 8.8 m -66.34 -31.8 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.679 ' H ' HG23 ' A' 1011 ' ' THR . 1.5 mt -51.0 -29.16 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' 1013 ' ' LEU . 3.6 tt0 -38.11 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' 1012 ' ' SER . 4.1 pt20 -47.58 -38.8 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.16 -50.59 71.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.544 ' OH ' ' CZ ' ' A' 1008 ' ' TYR . 2.5 m-85 -59.34 -34.86 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 943' ' ' ILE . 8.9 mptt -54.56 -47.33 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -57.07 -44.65 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -51.62 -47.66 63.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 1.1 tmm? -51.21 -44.8 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -38.66 82.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.8 m -49.03 -49.34 41.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.49 13.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.436 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -47.8 -26.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 69.6 t60 -73.97 -58.28 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' 1031 ' ' ASP . . . -63.64 -35.14 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' 1028 ' ' LEU . 7.0 mt -49.04 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' 1033 ' ' LYS . . . -50.4 -35.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' 1033 ' ' LYS . 4.8 t -70.42 -72.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' 1027 ' ' ALA . 0.9 OUTLIER -45.82 -40.28 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.6 84.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' 1029 ' ' ALA . 15.9 mmtt -72.02 -51.55 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.816 ' O ' HG23 ' A' 1038 ' ' VAL . 14.3 t-20 -49.95 -31.53 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.87 -67.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.18 -42.31 99.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -42.01 -44.68 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.822 HG12 ' OG1' ' A' ' 980' ' ' THR . 90.3 t -65.03 -43.44 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.772 HG23 ' HG ' ' A' ' 976' ' ' LEU . 7.8 mt -54.5 -47.21 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.76 -40.74 60.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.821 ' HA ' HD21 ' A' 1044 ' ' LEU . 10.4 mt-30 -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.828 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -76.14 -58.15 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -35.6 -58.71 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.821 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.7 pp -51.79 -49.03 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.489 ' N ' HD12 ' A' 1044 ' ' LEU . 0.1 OUTLIER -46.92 -27.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.3 ttp -85.45 -49.0 8.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.4 mp -60.08 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 93.9 p -78.63 66.91 4.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -169.18 -69.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 9.3 t -159.33 102.14 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . 0.494 ' N ' ' CD ' ' A' 1052 ' ' PRO . 0.1 OUTLIER -67.83 -51.54 28.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' 1051 ' ' ARG . 18.2 Cg_endo -74.99 143.87 29.62 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.539 0.209 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 918' ' ' LEU . . . -103.99 99.51 9.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.43 82.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 916' ' ' ALA . 0.2 OUTLIER -125.13 69.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -84.16 -164.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.12 13.7 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 925' ' ' VAL . 22.4 m -86.55 -67.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.498 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 8.8 p30 -57.71 -17.92 18.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -66.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -45.79 -50.52 13.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.993 HG21 ' HG ' ' A' ' 972' ' ' SER . 46.7 t -54.92 -62.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.978 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -53.4 -35.11 60.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.004 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 930' ' ' THR . 11.0 mm-40 -70.91 -50.33 36.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.34 -49.29 77.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 925' ' ' VAL . 74.3 t -51.97 -56.26 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.8 p -54.89 -54.99 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.86 -32.19 55.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -68.8 -59.49 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.433 ' N ' ' HG ' ' A' ' 932' ' ' LEU . 35.0 m -62.28 -40.54 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.1 OUTLIER -48.54 -39.2 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.42 -45.05 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.449 HG23 HD12 ' A' ' 932' ' ' LEU . 5.3 t -37.38 -42.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 45.8 mt -83.91 -67.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -31.98 -45.69 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 3.3 mtp -48.49 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 8.2 p -37.38 -34.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 2.0 t -63.78 -52.67 59.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.925 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -102.54 25.89 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.539 HG12 ' CE ' ' A' ' 954' ' ' MET . 0.1 OUTLIER -92.95 -51.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.4 OUTLIER -48.18 -50.99 52.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.04 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.925 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.56 124.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.459 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 177.12 9.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -75.01 -16.78 19.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.03 -14.21 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.447 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -114.98 -6.6 12.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.631 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 8.9 t80 -90.83 -43.08 10.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.75 HG23 ' CD ' ' A' 1006 ' ' GLN . 0.9 OUTLIER -47.2 -48.22 55.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.06 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.539 ' CE ' HG12 ' A' ' 943' ' ' ILE . 10.8 ttm -38.38 -66.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.547 ' CG1' HD13 ' A' ' 999' ' ' ILE . 7.8 t -56.19 -51.12 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 15.0 mmmt -42.85 -41.35 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 995' ' ' LEU . 73.6 t -44.24 -39.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -43.49 99.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -43.28 95.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.95 95.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.814 HD13 ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.57 -40.09 96.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . 0.416 ' N ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -52.46 -54.56 30.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 968' ' ' THR . 8.3 m -57.61 -49.44 76.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.809 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.0 OUTLIER -39.12 -48.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -48.49 -57.74 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.491 ' CG2' HG22 ' A' ' 964' ' ' THR . 59.7 p -51.41 -45.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 965' ' ' LEU . 22.7 t -55.43 -40.75 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 7.0 t0 -54.32 -38.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.4 mt-10 -71.57 -25.19 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.993 ' HG ' HG21 ' A' ' 925' ' ' VAL . 0.3 OUTLIER -84.51 -30.47 25.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.1 OUTLIER -37.32 -53.03 2.29 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.0 -37.43 2.03 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 971' ' ' GLU . 54.1 t -47.82 -32.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 972' ' ' SER . 0.5 OUTLIER -107.59 158.48 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.447 ' C ' ' N ' ' A' ' 979' ' ' SER . 18.3 Cg_endo -74.99 145.25 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -42.17 -28.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 977' ' ' PRO . 28.1 t -37.62 -34.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.73 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 3.6 t -116.57 54.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.487 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -81.86 -83.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 985' ' ' GLU . 15.0 tpp180 -44.59 -62.16 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.569 ' HB3' HG21 ' A' 1038 ' ' VAL . 44.6 mt-10 -36.31 -53.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.877 HD11 HG12 ' A' 1039 ' ' ILE . 1.5 mt -58.01 -48.78 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 982' ' ' ARG . 1.0 OUTLIER -60.64 -36.97 79.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.3 mtp -77.01 -27.85 54.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.42 70.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.501 ' CD ' HG11 ' A' ' 969' ' ' VAL . 34.2 mt-30 -71.28 -51.7 23.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.61 -25.02 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -55.37 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.13 -58.6 6.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -49.46 -52.14 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.35 -68.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.678 ' CB ' HD21 ' A' 1028 ' ' LEU . 4.1 m-20 -50.42 -42.39 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.814 ' HG ' HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -53.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -40.12 -48.25 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.22 -44.58 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.4 OUTLIER -60.99 -39.11 88.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.547 HD13 ' CG1' ' A' ' 955' ' ' VAL . 2.8 mm -62.93 -62.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.58 -34.28 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -56.83 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.53 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -55.66 -17.93 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.3 mtpt -75.31 -38.86 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.94 -43.49 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.631 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -54.0 -31.31 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.75 ' CD ' HG23 ' A' ' 952' ' ' VAL . 5.0 mm100 -60.44 -34.27 73.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.88 -30.04 12.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.604 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 21.0 m-85 -88.44 32.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' 1011 ' ' THR . 2.5 p -117.76 -40.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -65.14 65.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.0 OUTLIER 171.44 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.5 p 155.75 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.469 ' H ' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -39.93 -30.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' 1012 ' ' SER . 47.9 tp60 -38.27 -57.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -39.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 1013 ' ' LEU . 26.7 tt0 -69.63 -67.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.604 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 18.5 m-85 -55.19 -17.79 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.48 ' NZ ' HG21 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -65.96 -58.85 4.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . 0.406 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 0.0 OUTLIER -50.38 -39.65 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.458 ' HE1' HD21 ' A' ' 998' ' ' LEU . 10.2 mmm -51.42 -41.03 60.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' 1025 ' ' ALA . 0.2 OUTLIER -63.98 -34.57 78.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.2 m -52.81 -51.74 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.18 62.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' 1022 ' ' LEU . . . -59.21 -32.49 69.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -53.42 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.89 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.678 HD21 ' CB ' ' A' ' 994' ' ' ASP . 9.0 mt -56.15 -66.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.07 -42.1 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.8 t -70.82 -51.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' 1028 ' ' LEU . 1.7 m-20 -43.64 -61.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -53.52 -31.92 48.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' 1030 ' ' VAL . 1.7 tptt -69.37 -54.35 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -51.83 -31.03 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' 1038 ' ' VAL . 10.3 tt -58.65 -61.08 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.978 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -68.13 -40.84 82.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -44.1 -59.91 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' 1035 ' ' LEU . 0.5 OUTLIER -54.26 -35.74 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.877 HG12 HD11 ' A' ' 984' ' ' ILE . 5.3 mt -67.15 -46.34 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -43.51 69.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.64 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.0 OUTLIER -67.81 -21.85 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.73 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -87.63 -58.15 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' 1047 ' ' ILE . 17.1 ttp180 -38.79 -37.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' 1045 ' ' LYS . 4.6 pp -74.74 -47.95 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.832 ' N ' HD12 ' A' 1044 ' ' LEU . 0.3 OUTLIER -38.95 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' 1044 ' ' LEU . 1.0 OUTLIER -79.44 -54.49 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' 1043 ' ' ARG . 2.4 mp -59.61 -72.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 2.9 m -71.14 82.96 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.07 -60.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.3 t -115.69 -61.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 146.36 16.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -58.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.534 0.207 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.78 -174.04 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -52.92 137.62 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.85 61.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.46 -177.24 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -88.84 35.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.0 p -87.15 -49.51 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.56 -26.11 67.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.2 OUTLIER -80.17 -48.32 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -61.19 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.62 HG21 ' HB2' ' A' ' 972' ' ' SER . 60.8 t -50.87 -66.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 1.145 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.6 m-30 -47.27 -32.78 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 923' ' ' ASP . 4.2 tm-20 -72.09 -64.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -49.04 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.563 HG22 HD12 ' A' ' 965' ' ' LEU . 80.4 t -50.2 -56.18 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 931' ' ' GLY . 6.1 p -66.28 -65.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.71 -53.33 0.64 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -63.38 -51.26 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.818 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.6 t -55.53 -61.98 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 933' ' ' VAL . 10.1 mtpt -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 932' ' ' LEU . . . -68.46 -51.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 932' ' ' LEU . 84.1 t -39.23 -39.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' 1029 ' ' ALA . 1.8 mm -84.55 -66.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.0 OUTLIER -35.98 -45.08 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 943' ' ' ILE . 5.7 ttp -50.97 -59.58 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.556 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 5.6 p -45.48 -36.43 4.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -33.07 75.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.838 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -118.66 24.63 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 1.038 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -94.71 -48.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.2 tt0 -47.02 -52.52 33.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.5 Cg_endo -75.0 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.37 129.23 0.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 176.7 9.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.529 ' HB3' HG11 ' A' 1009 ' ' VAL . 18.3 Cg_endo -75.02 -17.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.98 -14.38 39.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.495 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -113.82 -10.79 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 1.038 ' CE1' HD11 ' A' ' 943' ' ' ILE . 11.9 t80 -91.06 -34.18 15.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.577 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.65 -47.84 83.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -29.59 -61.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' 1002 ' ' MET . 2.2 t -63.16 -53.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -48.98 79.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.767 HG12 HD21 ' A' ' 995' ' ' LEU . 37.2 t -50.27 -46.18 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -56.19 -42.9 88.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -40.26 87.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 958' ' ' VAL . . . -53.07 -43.52 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 995' ' ' LEU . 72.2 mt -54.93 -57.11 12.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -47.02 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 968' ' ' THR . 30.3 m -73.24 -50.01 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.834 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.1 OUTLIER -47.22 -39.9 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -60.31 -62.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.28 -57.03 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 964' ' ' THR . 72.2 p -47.23 -47.16 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 965' ' ' LEU . 41.5 t -57.29 -40.42 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.419 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t0 -50.02 -37.96 35.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.9 mt-10 -75.76 -23.63 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.62 ' HB2' HG21 ' A' ' 925' ' ' VAL . 3.0 t -85.18 -28.0 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.32 -52.24 10.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.2 t -47.14 -30.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.78 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.2 mm? -110.65 158.09 36.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -72.93 57.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 4.5 t -123.1 -30.64 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.711 HG23 HD12 ' A' ' 984' ' ' ILE . 0.1 OUTLIER -116.38 16.34 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 2.6 m170 -48.66 -96.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 981' ' ' HIS . 2.8 ptt180 -37.13 -45.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.17 -53.91 30.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.952 HD11 ' CG1' ' A' 1039 ' ' ILE . 1.3 mt -59.7 -36.57 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.48 -42.21 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -26.84 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -75.16 -21.51 58.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.535 ' HG2' HD11 ' A' 1035 ' ' LEU . 1.2 mt-30 -77.3 -47.92 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -66.07 -33.22 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.76 -65.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.734 HD11 HD12 ' A' ' 995' ' ' LEU . 1.4 tp -45.26 -47.85 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.677 ' OD1' HD13 ' A' ' 962' ' ' LEU . 1.4 t30 -56.8 -57.82 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.75 -63.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.734 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.8 m-20 -51.42 -56.73 11.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 1.022 HD13 HD11 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -46.73 -54.02 10.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.06 -36.54 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.88 -31.01 62.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.568 HD13 HD12 ' A' 1028 ' ' LEU . 1.8 tt -75.2 -40.03 59.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.614 HD13 HG13 ' A' ' 955' ' ' VAL . 47.0 mm -54.21 -45.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' LYS . 49.3 t30 -62.04 -55.71 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.69 -46.3 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.657 ' HB2' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -64.42 -36.63 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1000 ' ' ASN . 1.0 OUTLIER -64.8 -21.76 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.72 -46.37 10.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.351 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.755 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -59.58 -15.21 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -32.0 66.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' 1010 ' ' MET . 0.3 OUTLIER -107.49 -23.14 12.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.422 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.4 m-85 -86.0 4.0 39.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 948' ' ' PRO . 1.7 p -79.99 -40.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' 1007 ' ' GLN . 0.0 OUTLIER -51.36 -19.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' 1012 ' ' SER . 1.4 t -114.99 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.539 ' N ' ' OG1' ' A' 1011 ' ' THR . 0.1 OUTLIER -89.52 17.66 6.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.534 ' HB2' HG23 ' A' 1011 ' ' THR . 0.2 OUTLIER -80.9 -33.39 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -36.52 -66.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -34.12 -38.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.6 OUTLIER -67.94 -67.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.422 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -55.02 -19.7 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' 1021 ' ' MET . 6.2 mptt -66.74 -48.82 67.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -63.53 -25.7 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -68.4 -58.97 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.5 ptm -52.3 -24.33 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -71.24 -45.62 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.3 m -49.56 -44.75 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . 0.528 ' HB3' HD12 ' A' ' 998' ' ' LEU . . . -75.8 -47.18 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.551 ' HB1' HG12 ' A' ' 936' ' ' VAL . . . -55.15 -29.94 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.88 -56.03 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.35 80.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 994' ' ' ASP . 10.1 mt -54.56 -65.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.895 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.95 -45.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.4 t -68.98 -53.07 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -41.14 -62.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.561 ' HB3' HG21 ' A' ' 933' ' ' VAL . . . -50.02 -36.25 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.4 tptt -63.1 -46.21 88.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.92 -39.97 72.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.717 ' O ' HG12 ' A' 1038 ' ' VAL . 8.5 tt -49.17 -57.8 6.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 1.145 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -73.17 -39.23 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 47.7 t0 -45.64 -51.53 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' 1035 ' ' LEU . 12.3 p -63.27 -34.71 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.952 ' CG1' HD11 ' A' ' 984' ' ' ILE . 11.4 mt -63.16 -50.12 80.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -45.81 47.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.696 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.2 OUTLIER -65.62 -21.56 66.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.58 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -83.51 -56.72 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.436 ' HG3' ' CE ' ' A' 1046 ' ' MET . 10.3 ttp180 -43.26 -42.68 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.696 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.6 pp -72.2 -36.55 69.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' 1044 ' ' LEU . 8.3 tmtt? -53.02 -20.79 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.436 ' CE ' ' HG3' ' A' 1043 ' ' ARG . 0.0 OUTLIER -89.03 -39.68 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' 1046 ' ' MET . 3.2 mt -67.15 -57.16 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -66.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.82 95.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.91 117.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . 0.406 ' NH1' HG23 ' A' 1047 ' ' ILE . 5.9 tpp180 -111.09 100.74 48.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 7.6 t-160 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.648 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.69 132.05 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -87.75 80.94 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 2.6 mp -124.91 109.49 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.82 34.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.5 -50.29 7.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.597 ' OD1' HG11 ' A' ' 975' ' ' VAL . 2.7 m-20 -77.2 -1.44 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -48.45 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.87 -49.88 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 929' ' ' VAL . 81.7 t -53.64 -49.12 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.976 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.8 m-30 -64.26 -37.36 87.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 928' ' ' ASN . 3.5 mm-40 -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.485 ' OD1' HG21 ' A' ' 968' ' ' THR . 15.3 m120 -40.38 -51.54 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.75 ' CG2' HD11 ' A' ' 965' ' ' LEU . 60.8 t -47.59 -62.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.4 p -61.21 -60.92 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -38.35 -50.96 2.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.17 -50.39 48.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' A' 1032 ' ' ALA . 2.1 t -52.21 -32.68 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.6 -50.5 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -64.18 -42.74 96.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.556 HG23 HD12 ' A' ' 932' ' ' LEU . 2.7 t -38.96 -49.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' 1029 ' ' ALA . 5.0 mt -84.92 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.69 -42.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 13.6 ttm -46.44 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.504 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.3 m -38.16 -35.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -51.08 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.873 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.63 26.91 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.821 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.93 -51.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.0 tt0 -45.85 -51.86 28.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.99 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.873 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.89 131.39 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.446 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.0 -16.82 20.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.4 -18.86 29.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 1.2 tp10 -106.19 -4.76 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.821 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -91.95 -43.6 9.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.853 HG23 ' OE1' ' A' 1006 ' ' GLN . 0.9 OUTLIER -54.55 -47.17 98.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -74.95 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.465 ' HE1' HG12 ' A' ' 943' ' ' ILE . 1.6 tmm? -32.58 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.878 HG11 ' HG2' ' A' 1002 ' ' MET . 75.9 t -67.68 -54.62 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -46.75 -36.69 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -53.09 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.445 ' CG1' ' CD1' ' A' ' 962' ' ' LEU . 2.2 t -43.5 -57.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.6 -44.85 8.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.45 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 995' ' ' LEU . 1.1 mt -56.94 -47.38 80.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . 0.452 ' HA ' HD13 ' A' ' 966' ' ' LEU . 0.1 OUTLIER -47.24 -53.81 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 968' ' ' THR . 1.2 m -58.5 -27.44 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.75 HD11 ' CG2' ' A' ' 929' ' ' VAL . 10.0 tp -59.64 -44.25 93.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 966' ' ' LEU . 6.0 mp -58.99 -49.56 77.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -60.35 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 964' ' ' THR . 38.0 p -45.71 -47.52 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 965' ' ' LEU . 39.7 t -57.14 -41.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.411 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 10.5 t0 -49.25 -35.24 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 975' ' ' VAL . 11.8 mt-10 -79.88 -24.06 41.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.571 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.6 OUTLIER -86.13 -28.54 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.518 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -43.17 -50.8 14.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -75.04 -35.69 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.597 HG11 ' OD1' ' A' ' 922' ' ' ASN . 17.5 t -47.43 -33.22 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.808 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.9 OUTLIER -109.46 159.61 30.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 981' ' ' HIS . 18.3 Cg_endo -75.0 175.14 11.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -81.14 49.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -20.78 8.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.998 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.884 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 1.8 t -116.77 -9.58 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 977' ' ' PRO . 13.8 m170 -48.31 -59.45 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -44.31 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.605 ' HB2' HG11 ' A' 1038 ' ' VAL . 7.7 mt-10 -49.32 -47.63 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.753 HD12 HG23 ' A' ' 980' ' ' THR . 12.8 mt -51.1 -49.54 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -50.06 57.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.9 mtm -72.51 -28.19 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -65.52 -37.75 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.56 -44.73 81.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.28 68.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -56.75 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.792 HD11 HD21 ' A' ' 962' ' ' LEU . 10.3 tp -56.03 -59.32 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.51 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.3 t-20 -45.31 -45.78 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.689 ' CB ' HD21 ' A' 1028 ' ' LEU . 0.8 OUTLIER -49.48 -32.57 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -58.67 -60.74 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -53.5 -54.57 35.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -52.96 -23.7 7.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.573 HD13 HD11 ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.24 -48.2 71.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 995' ' ' LEU . 4.2 mp -62.73 -59.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.2 -43.63 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -63.04 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.878 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -51.67 -26.42 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' 1002 ' ' MET . 1.6 mtpt -59.51 -43.87 93.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' 1008 ' ' TYR . 12.1 mt -78.54 -29.56 46.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -55.31 -27.0 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.853 ' OE1' HG23 ' A' ' 952' ' ' VAL . 0.5 OUTLIER -93.3 -18.77 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -100.23 -1.21 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.633 ' CE2' ' CE1' ' A' 1017 ' ' TYR . 5.4 m-85 -110.75 -16.02 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' 1010 ' ' MET . 2.2 p -67.55 -26.95 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -33.43 -45.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' 1012 ' ' SER . 9.7 t -97.84 -56.91 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.4 t 152.33 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' 1016 ' ' GLU . 1.0 OUTLIER -83.61 -19.73 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' 1018 ' ' LYS . 2.8 tt0 -36.84 -67.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' 1014 ' ' GLN . 1.9 pp0? -33.85 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' 1013 ' ' LEU . 16.7 tt0 -73.14 -68.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.633 ' CE1' ' CE2' ' A' 1008 ' ' TYR . 7.8 m-85 -59.62 -13.82 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.08 -56.81 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . 0.439 ' CE ' ' HG3' ' A' 1018 ' ' LYS . 3.4 mmpt? -57.01 -33.67 67.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -63.88 -55.35 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 2.0 mmm -43.61 -38.68 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' 1022 ' ' LEU . 3.0 tm? -64.07 -47.88 78.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -41.54 -48.43 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.0 61.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.87 -35.14 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -63.9 -55.99 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.639 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.38 84.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.689 HD21 ' CB ' ' A' ' 994' ' ' ASP . 11.2 mt -58.16 -65.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.57 -40.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.9 t -74.18 -54.48 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -42.02 -56.34 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.528 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -56.9 -37.01 70.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -67.14 -59.79 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.827 ' O ' HG23 ' A' 1038 ' ' VAL . 12.8 t-20 -43.27 -32.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.4 -69.1 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.976 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -43.9 -46.38 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' 1034 ' ' ASN . 85.3 t -66.56 -34.76 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.808 HG23 ' HG ' ' A' ' 976' ' ' LEU . 9.0 mt -65.55 -51.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 6.3 t0 -46.68 -46.6 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.503 ' O ' ' CD1' ' A' 1044 ' ' LEU . 28.2 tt0 -68.7 -25.94 65.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.884 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -81.82 -29.04 32.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' 1039 ' ' ILE . 0.8 OUTLIER -57.37 -64.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.799 HD22 ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -60.31 -26.02 66.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.727 ' N ' HD22 ' A' 1044 ' ' LEU . 1.8 tttp -52.54 -26.85 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -21.98 30.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 6.9 mm -59.05 -59.72 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.96 76.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.95 38.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.02 -46.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -65.2 112.3 7.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.63 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 17.0 t60 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . 0.759 ' N ' HD11 ' A' ' 918' ' ' LEU . 3.0 ptm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.509 0.195 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -100.19 -83.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.65 100.74 11.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . 0.759 HD11 ' N ' ' A' ' 915' ' ' MET . 1.4 mp -122.91 41.08 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 923' ' ' ASP . 4.7 p30 -104.06 43.47 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 -81.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 23.1 m -82.3 -53.03 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 43.8 p-10 -55.23 -18.42 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 919' ' ' ASP . 0.9 OUTLIER -74.78 -26.86 60.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -76.28 -41.46 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.926 HG23 HG22 ' A' ' 968' ' ' THR . 2.8 t -74.75 -36.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.856 ' CD1' HD11 ' A' 1036 ' ' LEU . 3.5 m-30 -70.89 -23.2 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.17 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.421 ' O ' HD12 ' A' ' 932' ' ' LEU . 1.7 t-20 -46.05 -38.08 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.741 ' O ' HD13 ' A' ' 932' ' ' LEU . 1.9 t -58.65 -63.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 929' ' ' VAL . 41.6 p -58.69 -30.19 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -54.65 -81.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.89 HD13 ' H ' ' A' ' 933' ' ' VAL . 0.0 OUTLIER -50.5 -39.92 49.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.89 ' H ' HD13 ' A' ' 932' ' ' LEU . 2.5 t -56.13 -54.57 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -55.22 -39.8 70.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -67.91 -50.59 55.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 932' ' ' LEU . 56.3 t -34.89 -44.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' 1029 ' ' ALA . 2.6 mp -83.97 -66.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -33.66 -40.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.0 OUTLIER -51.86 -69.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.529 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 93.3 p -41.11 -33.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -46.47 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.9 23.51 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.921 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -92.96 -50.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -39.0 -53.08 3.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.06 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -36.23 125.49 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.48 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.02 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.03 -18.89 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.27 -14.04 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.494 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -113.43 -5.11 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.921 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.9 t80 -92.65 -36.61 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -51.87 -46.13 92.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -74.98 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -32.87 -55.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.666 HG13 HD13 ' A' ' 999' ' ' ILE . 2.1 t -63.24 -49.55 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.95 -38.27 35.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.33 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.42 HG12 HD11 ' A' ' 995' ' ' LEU . 54.2 t -64.32 -49.26 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -59.26 -21.7 54.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.52 -43.97 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . . . -67.85 -43.96 78.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -64.03 -33.86 76.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . 0.89 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -57.04 -57.62 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 18.9 m -52.27 -46.48 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.7 tm? -46.47 -54.78 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 962' ' ' LEU . 5.6 mp -42.57 -60.22 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.16 83.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.926 HG22 HG23 ' A' ' 925' ' ' VAL . 4.1 m -55.44 -45.48 76.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 965' ' ' LEU . 98.8 t -53.35 -45.32 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -49.35 -41.82 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.729 ' O ' HG23 ' A' ' 975' ' ' VAL . 43.2 tt0 -74.49 -23.15 58.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.597 ' HB2' HG21 ' A' ' 925' ' ' VAL . 12.1 t -86.7 -18.07 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.2 OUTLIER -51.75 -53.16 53.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.55 3.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 971' ' ' GLU . 48.4 t -47.82 -26.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.4 OUTLIER -105.37 160.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.494 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -42.66 116.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.1 p 158.24 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.98 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 2.0 t -101.4 -0.43 35.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -62.12 -42.19 98.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.879 ' HB2' HG21 ' A' 1038 ' ' VAL . 11.6 mt-10 -51.12 -39.39 56.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' 1039 ' ' ILE . 27.3 mt -55.66 -51.64 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.22 -51.2 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -28.47 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.442 ' O ' HD12 ' A' 1035 ' ' LEU . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.19 -55.49 21.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -32.46 55.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . 0.496 HD23 ' OD1' ' A' ' 994' ' ' ASP . 0.1 OUTLIER -58.61 -52.92 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 962' ' ' LEU . 13.9 tp -45.63 -60.23 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -54.3 -59.89 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -59.41 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.558 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 1.0 OUTLIER -57.38 -48.92 77.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 995' ' ' LEU . 0.2 OUTLIER -51.35 -57.11 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.02 -44.35 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -37.57 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 995' ' ' LEU . 1.4 tt -78.31 -45.51 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.666 HD13 HG13 ' A' ' 955' ' ' VAL . 39.9 mm -55.08 -43.47 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 27.5 t30 -66.71 -55.88 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 9.9 mmtm -39.88 -37.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.615 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.1 OUTLIER -75.74 -47.04 27.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' 1000 ' ' ASN . 0.7 OUTLIER -53.42 -23.01 8.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' 1007 ' ' GLN . 17.7 mt -90.72 -48.05 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.694 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -49.25 -25.53 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.428 ' CD ' HG23 ' A' ' 952' ' ' VAL . 3.9 tp60 -67.46 -36.0 80.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' 1004 ' ' LEU . 0.0 OUTLIER -94.99 -28.85 14.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.77 ' CD2' ' CE1' ' A' 1017 ' ' TYR . 30.8 m-85 -92.75 36.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' 1014 ' ' GLN . 2.4 p -125.23 -42.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.86 57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.1 OUTLIER -177.23 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.9 OUTLIER 157.59 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.3 OUTLIER -44.18 -27.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.538 ' HB2' HG23 ' A' 1009 ' ' VAL . 0.5 OUTLIER -35.27 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.4 OUTLIER -36.93 -35.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' 1013 ' ' LEU . 2.8 tt0 -68.43 -60.32 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.77 ' CE1' ' CD2' ' A' 1008 ' ' TYR . 4.4 m-85 -67.95 -13.34 62.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' 1014 ' ' GLN . 4.7 tptt -68.61 -50.37 52.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -40.21 96.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -56.24 -52.97 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -46.23 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -53.32 -54.07 41.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.7 m -38.28 -50.87 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.64 -53.09 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 936' ' ' VAL . . . -47.62 -26.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.16 -57.61 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -71.29 -34.69 70.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.558 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.9 OUTLIER -61.34 -63.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.701 ' CB ' HD11 ' A' ' 937' ' ' ILE . . . -42.43 -41.04 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.0 t -73.15 -51.68 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.58 -55.25 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -55.68 -41.59 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' 1030 ' ' VAL . 15.5 mmtt -63.3 -45.34 91.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 18.3 t30 -56.32 -27.83 56.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' 1038 ' ' VAL . 1.0 OUTLIER -63.36 -62.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.856 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -66.6 -37.87 85.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -39.76 -63.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.879 HG21 ' HB2' ' A' ' 983' ' ' GLU . 2.9 p -52.99 -41.49 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.676 HG12 HD11 ' A' ' 984' ' ' ILE . 4.5 mt -59.73 -48.7 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.83 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.2 OUTLIER -63.49 -25.32 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.98 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -77.35 -55.91 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' 1042 ' ' ALA . 0.0 OUTLIER -36.84 -57.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.83 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -52.83 -48.59 66.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.449 ' N ' HD12 ' A' 1044 ' ' LEU . 7.6 tmtm? -39.88 -30.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.494 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 16.8 ttp -91.06 -51.93 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.6 -50.32 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -48.4 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.29 99.02 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 7.4 t -172.07 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -62.81 112.06 6.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.36 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . 0.742 ' HG3' HD12 ' A' ' 918' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.55 0.214 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -44.4 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -40.53 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . 0.742 HD12 ' HG3' ' A' ' 915' ' ' MET . 0.6 OUTLIER -112.08 59.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.49 39.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 2.0 t -86.18 -16.41 37.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 5.8 t30 -57.34 -48.19 79.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.46 -39.76 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -55.23 -71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.777 ' CG2' HG22 ' A' ' 968' ' ' THR . 86.5 t -44.34 -53.37 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.913 ' CE1' HD21 ' A' 1036 ' ' LEU . 3.9 m-85 -53.06 -49.95 65.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 928' ' ' ASN . 0.7 OUTLIER -65.67 -63.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' A' ' 968' ' ' THR . 34.2 m120 -38.81 -40.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.524 HG23 ' CD1' ' A' ' 965' ' ' LEU . 2.2 t -58.59 -66.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 926' ' ' TYR . 80.8 p -45.05 -54.9 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -53.83 -32.7 48.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.85 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -74.61 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 934' ' ' LYS . 30.0 m -57.04 -51.78 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 930' ' ' THR . 2.0 mmpt? -42.93 -44.3 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -73.24 -50.38 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.643 HG23 HD12 ' A' ' 932' ' ' LEU . 9.1 t -35.68 -41.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 938' ' ' GLU . 26.5 mt -84.65 -67.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -30.49 -47.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.496 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.3 ttp -47.07 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 34.1 m -39.51 -34.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -50.97 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.863 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.65 28.19 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.01 -51.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.27 -51.38 34.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.863 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -36.32 127.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.469 ' HA ' ' OE1' ' A' 1006 ' ' GLN . 18.3 Cg_endo -75.05 -13.98 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.42 -20.2 23.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -107.74 -9.63 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.637 ' CE1' HD11 ' A' ' 943' ' ' ILE . 3.5 t80 -90.67 -41.34 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.708 HG23 ' CD ' ' A' 1006 ' ' GLN . 0.9 OUTLIER -44.7 -49.69 26.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -30.08 -50.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.721 HG21 ' HB2' ' A' 1002 ' ' MET . 14.3 t -68.88 -54.76 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 953' ' ' PRO . 5.3 mmtp -39.85 -31.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -70.45 -57.77 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.455 ' O ' HD12 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -49.99 -44.61 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.71 -37.33 68.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -51.1 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -47.67 -56.75 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 991' ' ' LEU . 1.6 mt -52.26 -49.24 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.29 -57.2 12.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 2.0 m -56.4 -46.76 79.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.524 ' CD1' HG23 ' A' ' 929' ' ' VAL . 0.8 OUTLIER -49.58 -49.57 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -57.88 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 970' ' ' ASP . . . -55.84 -52.86 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.777 HG22 ' CG2' ' A' ' 925' ' ' VAL . 4.6 m -47.26 -47.41 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 972' ' ' SER . 55.3 t -55.84 -38.1 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.427 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 19.4 t0 -48.58 -45.59 38.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.481 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.5 mt-10 -69.01 -22.74 64.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.729 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.6 OUTLIER -85.81 -26.58 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.1 -51.28 7.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -74.95 -36.51 2.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 976' ' ' LEU . 17.1 t -48.03 -33.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.5 OUTLIER -110.21 160.35 28.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.486 ' O ' ' OG1' ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 162.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.521 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . -39.4 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 977' ' ' PRO . 0.3 OUTLIER -48.01 -22.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.731 HG23 ' HB1' ' A' 1042 ' ' ALA . 18.1 p -98.8 30.84 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 978' ' ' ALA . 11.3 m170 -86.88 -99.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.557 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.473 ' HB3' ' CE ' ' A' ' 986' ' ' MET . 0.0 OUTLIER -54.16 -39.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.454 ' HB3' HG11 ' A' 1038 ' ' VAL . 5.5 mt-10 -54.9 -42.78 72.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 1.3 mt -74.14 -36.05 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.13 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -68.31 -42.27 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.528 ' HB3' HD22 ' A' 1035 ' ' LEU . . . -74.39 -30.85 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -66.42 -54.75 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -53.87 -35.68 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -63.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.707 HD11 HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -47.33 -49.56 23.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -60.19 -49.93 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.74 -64.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.494 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.6 OUTLIER -56.22 -34.33 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.769 ' C ' HD12 ' A' ' 995' ' ' LEU . 0.1 OUTLIER -54.32 -58.37 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.61 19.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -35.45 43.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 998' ' ' LEU . 0.6 OUTLIER -67.9 -50.05 58.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.548 HD13 ' CG1' ' A' ' 955' ' ' VAL . 11.1 mm -55.15 -44.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1001 ' ' LYS . 1.1 t-20 -64.49 -52.6 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.0 OUTLIER -39.21 -36.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.108 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.721 ' HB2' HG21 ' A' ' 955' ' ' VAL . 7.0 tmm? -74.86 -49.81 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -53.43 -23.27 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.404 ' HB3' ' CE2' ' A' 1008 ' ' TYR . 20.1 mt -90.87 -48.07 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.598 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -61.42 -13.99 24.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.708 ' CD ' HG23 ' A' ' 952' ' ' VAL . 0.3 OUTLIER -85.57 -30.3 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -102.31 -4.3 25.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.833 ' O ' HG22 ' A' 1011 ' ' THR . 2.8 m-85 -105.0 -20.88 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' 1009 ' ' VAL . 1.6 p -58.84 -39.32 77.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -29.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.833 HG22 ' O ' ' A' 1008 ' ' TYR . 8.9 t -105.63 -142.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.535 ' N ' HG23 ' A' 1011 ' ' THR . 37.6 m -113.16 -21.9 10.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.981 HD12 ' CE2' ' A' 1017 ' ' TYR . 0.2 OUTLIER -44.12 -26.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' 1018 ' ' LYS . 1.0 OUTLIER -37.41 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' 1014 ' ' GLN . 2.9 pt20 -37.47 -37.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.77 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.6 OUTLIER -69.53 -61.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.981 ' CE2' HD12 ' A' 1013 ' ' LEU . 14.1 m-85 -60.6 -19.96 59.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.436 ' HE3' ' CD1' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -68.1 -43.34 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -37.91 89.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -55.95 -47.36 77.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -54.37 -47.84 72.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' 1022 ' ' LEU . 2.6 tm? -50.86 -47.04 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.3 m -47.3 -52.01 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.99 99.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.426 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -56.12 -30.13 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 67.5 t60 -72.3 -54.83 8.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.66 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 994' ' ' ASP . 10.6 mt -56.97 -66.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -38.52 -44.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' 1033 ' ' LYS . 13.6 t -69.86 -55.97 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -41.02 -56.29 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.449 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -59.77 -36.81 77.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.2 OUTLIER -61.67 -66.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.696 ' O ' HG23 ' A' 1038 ' ' VAL . 4.6 m-20 -38.5 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 987' ' ' ALA . 0.6 OUTLIER -59.07 -69.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.913 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -71.53 -44.22 65.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' 1033 ' ' LYS . 6.3 t0 -41.73 -41.48 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' 1034 ' ' ASN . 49.0 t -71.97 -40.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.802 HG23 ' HG ' ' A' ' 976' ' ' LEU . 22.2 mt -55.46 -56.81 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.27 -44.71 16.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.57 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.5 mt-30 -75.49 -24.85 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.731 ' HB1' HG23 ' A' ' 980' ' ' THR . . . -75.32 -51.38 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -47.6 -59.83 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.0 pp -54.19 -34.44 60.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.492 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -52.31 -22.55 4.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' 1047 ' ' ILE . 0.2 OUTLIER -92.21 -38.93 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' 1046 ' ' MET . 5.3 mt -64.16 -48.39 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 31.8 m -57.34 -69.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.1 -62.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 13.8 t -43.19 -62.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -60.67 119.97 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.76 2.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.488 0.185 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.0 -171.96 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.99 90.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.16 114.51 19.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 15.3 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 925' ' ' VAL . 3.4 m -83.02 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' A' ' 926' ' ' TYR . 19.1 t-20 -58.0 -17.23 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 925' ' ' VAL . 0.4 OUTLIER -75.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -41.46 -31.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 929' ' ' VAL . 21.1 t -78.16 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 1.167 ' CD1' HD11 ' A' 1036 ' ' LEU . 4.7 m-30 -54.22 -28.49 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.41 -64.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.95 -36.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.693 HG13 ' HB1' ' A' 1032 ' ' ALA . 86.9 t -60.04 -65.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 934' ' ' LYS . 66.6 p -56.58 -63.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.365 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -33.06 -54.23 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.776 HD22 HD13 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -64.26 -48.89 74.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 930' ' ' THR . 1.4 t -60.09 -33.68 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.3 OUTLIER -57.99 -39.32 77.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -78.74 -40.94 32.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.456 HG23 HD12 ' A' ' 932' ' ' LEU . 2.7 t -39.19 -45.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 938' ' ' GLU . 2.3 mp -84.83 -65.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -34.91 -41.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 942' ' ' LYS . 31.9 ttm -46.72 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 16.7 t -44.28 -31.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -43.33 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.869 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -111.9 27.6 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.0 OUTLIER -94.38 -50.41 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.5 OUTLIER -46.61 -51.87 34.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.2 Cg_endo -75.0 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.869 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -35.79 126.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.469 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.97 177.57 8.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -75.0 -16.53 20.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -17.31 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.235 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.42 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -110.19 -3.62 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 12.6 t80 -93.73 -42.86 8.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -51.77 -46.51 91.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -74.97 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.454 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 5.2 ttp -37.04 -43.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.594 HG21 ' CB ' ' A' 1002 ' ' MET . 11.6 t -71.5 -56.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.75 -43.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -58.14 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 961' ' ' ALA . 50.9 t -48.08 -56.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -44.18 -38.5 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 958' ' ' VAL . . . -64.82 -43.04 94.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.787 ' CD1' HD11 ' A' ' 991' ' ' LEU . 3.6 mm? -60.04 -46.5 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 963' ' ' ARG . 0.0 OUTLIER -59.73 -53.41 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 968' ' ' THR . 6.9 m -55.46 -34.92 64.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 1.029 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.0 tt -60.34 -41.54 93.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.429 HD23 ' OE1' ' A' ' 988' ' ' GLN . 1.4 tt -56.05 -43.96 78.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -58.96 -66.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.534 ' HB ' HG22 ' A' ' 925' ' ' VAL . 76.2 p -40.51 -43.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 965' ' ' LEU . 58.6 t -53.62 -48.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 967' ' ' ALA . 28.1 t70 -48.62 -37.07 17.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.762 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.1 mt-10 -79.12 -24.46 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.485 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.1 OUTLIER -86.28 -17.35 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.554 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.2 OUTLIER -53.79 -53.68 54.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.5 Cg_endo -74.92 -33.76 4.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 971' ' ' GLU . 42.5 t -48.95 -26.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.986 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.3 OUTLIER -107.69 155.47 39.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.7 5.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -77.61 108.57 10.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.82 -34.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.659 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 5.1 t -111.37 53.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -83.03 -92.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 985' ' ' GLU . 27.0 ttm180 -43.93 -54.7 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.767 ' CB ' HG11 ' A' 1038 ' ' VAL . 24.0 mt-10 -40.15 -48.24 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.999 HD11 ' CG1' ' A' 1039 ' ' ILE . 0.4 OUTLIER -63.78 -44.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.0 OUTLIER -62.58 -38.55 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 5.7 mtp -71.43 -23.69 61.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -79.64 -20.82 45.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 965' ' ' LEU . 1.7 mm-40 -75.88 -46.86 27.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -41.72 83.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.787 HD11 ' CD1' ' A' ' 962' ' ' LEU . 1.5 tt -62.59 -54.01 46.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -61.6 -35.51 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -66.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.571 ' HB3' HD21 ' A' 1028 ' ' LEU . 0.4 OUTLIER -52.6 -34.98 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.5 OUTLIER -54.99 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.18 -53.11 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.55 -35.12 73.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 995' ' ' LEU . 7.5 tt -69.82 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.478 HD12 ' CG1' ' A' ' 955' ' ' VAL . 19.3 mm -60.68 -54.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.1 t30 -52.71 -26.65 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.594 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -50.16 -23.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' 1002 ' ' MET . 3.1 mtpt -70.79 -52.36 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.03 -41.42 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.629 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -44.31 -44.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.492 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 32.6 mm-40 -47.2 -33.44 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -37.46 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.593 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 55.3 m-85 -87.22 40.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' 1005 ' ' ALA . 2.6 p -129.1 -44.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.67 ' C ' HG22 ' A' 1011 ' ' THR . 0.0 OUTLIER -63.02 71.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.67 HG22 ' C ' ' A' 1010 ' ' MET . 0.0 OUTLIER 164.77 -56.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.8 OUTLIER 155.63 -23.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -39.89 -29.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' 1012 ' ' SER . 33.5 tt0 -37.49 -58.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -36.83 -40.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' 1013 ' ' LEU . 0.8 OUTLIER -66.88 -68.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.593 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 3.9 m-85 -55.01 -24.4 24.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.441 ' O ' ' NZ ' ' A' 1018 ' ' LYS . 0.2 OUTLIER -59.9 -50.78 72.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . 0.426 ' N ' ' HE2' ' A' 1019 ' ' LYS . 0.1 OUTLIER -58.48 -36.55 73.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -62.18 -55.32 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -41.17 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' 1022 ' ' LEU . 1.9 tm? -58.32 -44.19 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 25.2 m -47.96 -49.77 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.14 83.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -53.85 -34.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 4.8 t60 -69.28 -55.86 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.18 -34.68 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 994' ' ' ASP . 9.4 mt -56.08 -66.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' 1028 ' ' LEU . . . -39.18 -40.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 3.2 t -72.89 -52.0 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -42.21 -58.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.693 ' HB1' HG13 ' A' ' 929' ' ' VAL . . . -55.99 -35.46 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.4 OUTLIER -67.1 -60.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.483 ' O ' HG23 ' A' 1038 ' ' VAL . 11.3 t-20 -41.61 -31.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 987' ' ' ALA . 6.1 tt -61.75 -70.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 1.167 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.6 -39.86 81.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.03 -56.01 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.767 HG11 ' CB ' ' A' ' 983' ' ' GLU . 80.2 t -57.38 -37.93 59.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.999 ' CG1' HD11 ' A' ' 984' ' ' ILE . 4.0 mt -64.06 -42.67 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.65 -38.92 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.62 ' HA ' HD21 ' A' 1044 ' ' LEU . 14.0 mt-30 -74.5 -26.08 59.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.986 ' HB3' HD12 ' A' ' 976' ' ' LEU . . . -81.31 -43.38 19.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.552 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 3.3 ttm180 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' 1041 ' ' GLN . 4.1 pp -62.61 -38.26 89.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.548 ' N ' HD12 ' A' 1044 ' ' LEU . 0.3 OUTLIER -47.93 -24.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.2 OUTLIER -85.98 -29.9 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.7 mm -43.03 -53.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 2.1 m -115.06 79.04 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.92 63.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.95 118.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 134.35 95.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 5.5 p80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.614 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.504 0.192 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.29 60.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -84.92 55.49 3.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.01 111.35 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -55.21 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -61.36 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 24.4 m -55.82 -45.67 78.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -57.11 -36.61 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -37.25 60.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -53.99 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 972' ' ' SER . 91.5 t -49.13 -61.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.984 ' CZ ' HD21 ' A' 1036 ' ' LEU . 5.3 m-85 -52.52 -30.95 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.56 -47.66 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 932' ' ' LEU . 0.9 OUTLIER -59.02 -58.44 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 1.01 ' O ' HG22 ' A' ' 933' ' ' VAL . 3.1 t -42.27 -53.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.5 p -61.08 -55.75 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -55.24 -25.58 40.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.811 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -81.66 -63.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 929' ' ' VAL . 6.1 m -57.68 -31.01 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 930' ' ' THR . 1.3 mmmt -63.07 -46.44 87.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -72.47 -45.25 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.591 HG23 HD12 ' A' ' 932' ' ' LEU . 3.5 t -40.56 -49.95 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 938' ' ' GLU . 66.9 mt -73.86 -62.74 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -34.03 -45.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.9 ttp -44.59 -69.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.879 ' CB ' HD23 ' A' 1022 ' ' LEU . 7.9 p -41.75 -37.27 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.6 t -60.83 -43.72 97.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.841 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -112.89 30.12 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.657 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.97 -50.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.6 OUTLIER -43.76 -53.61 12.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.02 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.36 127.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.455 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.04 177.02 9.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.2 Cg_endo -74.97 -16.34 20.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.18 -22.08 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.433 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -104.19 -3.95 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.728 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 10.7 t80 -93.0 -42.28 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -49.53 -47.08 78.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -51.67 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.46 ' HE3' ' HD1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -33.99 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.494 ' CG1' HD13 ' A' ' 999' ' ' ILE . 2.2 t -51.84 -52.02 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 -38.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 960' ' ' LEU . 0.4 OUTLIER -60.45 -54.6 43.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 14.2 t -40.07 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.93 93.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -54.9 -45.8 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -53.15 -47.66 68.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 1.0 HD22 ' CD2' ' A' ' 995' ' ' LEU . 0.1 OUTLIER -55.88 -54.22 47.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -52.94 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.902 ' O ' HG23 ' A' ' 968' ' ' THR . 2.0 m -64.88 -33.74 76.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.4 OUTLIER -57.28 -46.64 82.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 962' ' ' LEU . 7.0 mp -54.49 -52.46 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.52 33.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.902 HG23 ' O ' ' A' ' 964' ' ' THR . 62.6 p -54.35 -35.9 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 965' ' ' LEU . 45.9 t -63.16 -44.04 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.9 t70 -49.56 -40.27 37.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 975' ' ' VAL . 28.3 mt-10 -78.01 -22.36 49.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.872 ' HB2' HG21 ' A' ' 925' ' ' VAL . 32.6 t -85.66 -24.34 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.813 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -47.61 -52.62 36.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 971' ' ' GLU . 7.0 t -47.11 -28.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.654 ' CD1' HG23 ' A' 1039 ' ' ILE . 1.9 mm? -107.45 149.51 38.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.4 Cg_endo -74.97 67.85 5.83 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 981' ' ' HIS . . . 36.13 -151.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -57.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.754 HG23 HD12 ' A' ' 984' ' ' ILE . 1.4 t -76.19 -5.87 48.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.813 ' CD2' HD22 ' A' ' 973' ' ' LEU . 23.5 m170 -50.12 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.629 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -36.22 -68.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.752 ' HB2' HG11 ' A' 1038 ' ' VAL . 21.5 mt-10 -55.5 -39.9 71.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.754 HD12 HG23 ' A' ' 980' ' ' THR . 9.9 mt -58.31 -45.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.56 -24.43 56.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.755 ' HB3' HD13 ' A' 1035 ' ' LEU . . . -73.08 -29.37 62.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.454 ' NE2' HG21 ' A' ' 969' ' ' VAL . 2.1 mm-40 -73.63 -44.55 56.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -31.43 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.72 ' HG ' HD21 ' A' ' 962' ' ' LEU . 53.5 tp -42.47 -48.57 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 995' ' ' LEU . 0.5 OUTLIER -61.62 -62.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.82 -54.36 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' 1028 ' ' LEU . 1.1 m-20 -63.17 -29.85 71.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 1.0 ' CD2' HD22 ' A' ' 962' ' ' LEU . 1.1 tp -68.63 -57.95 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.45 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.03 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 995' ' ' LEU . 8.3 tt -72.5 -42.22 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.494 HD13 ' CG1' ' A' ' 955' ' ' VAL . 4.6 mm -55.51 -46.84 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' 1001 ' ' LYS . 66.1 t30 -59.69 -54.6 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' 1000 ' ' ASN . 16.7 mmtt -39.82 -33.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 951' ' ' TYR . 2.4 ttp -79.9 -54.48 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -25.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' 1002 ' ' MET . 14.8 mt -86.47 -54.53 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.728 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -45.05 -40.51 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' 1009 ' ' VAL . 3.8 tp-100 -46.83 -42.33 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -98.77 -24.74 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.622 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 10.0 m-85 -91.54 30.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' 1010 ' ' MET . 11.3 p -118.97 -52.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.491 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -54.06 -40.99 67.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.929 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.707 HG23 ' H ' ' A' 1012 ' ' SER . 0.0 OUTLIER -50.84 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.707 ' H ' HG23 ' A' 1011 ' ' THR . 1.4 p 157.14 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.07 56.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.485 ' NE2' HG23 ' A' 1009 ' ' VAL . 2.4 tp-100 -86.36 -76.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -39.87 -29.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -72.15 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 4.6 m-85 -66.86 -14.85 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -44.43 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.59 -33.67 76.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.18 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' 1022 ' ' LEU . 4.2 ptm -56.8 -24.6 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.879 HD23 ' CB ' ' A' ' 940' ' ' SER . 3.1 tm? -71.17 -52.98 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.5 m -43.08 -44.76 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.24 60.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.95 -29.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.91 -59.97 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.65 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.81 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.544 ' CD1' ' HB3' ' A' ' 994' ' ' ASP . 0.6 OUTLIER -59.03 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.785 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -41.39 -42.52 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 14.6 t -69.83 -44.14 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 1028 ' ' LEU . 39.6 t0 -45.71 -55.85 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.431 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.75 -37.36 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 3.1 tttt -66.79 -43.94 82.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' 1038 ' ' VAL . 13.2 t-20 -54.19 -40.08 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 987' ' ' ALA . 3.3 tp -54.35 -63.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.984 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.61 -39.51 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -41.17 -48.6 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 983' ' ' GLU . 41.9 t -64.98 -39.39 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.654 HG23 ' CD1' ' A' ' 976' ' ' LEU . 8.5 mt -59.68 -50.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 10.5 t0 -46.03 -43.66 14.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' 1044 ' ' LEU . 15.8 tt0 -61.95 -33.56 74.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -79.24 -29.3 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.82 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' 1045 ' ' LYS . 0.0 OUTLIER -57.3 -27.62 62.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.815 ' N ' HD22 ' A' 1044 ' ' LEU . 0.7 OUTLIER -51.79 -22.04 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 13.3 ttp -78.77 -46.13 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.82 -51.43 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 17.5 p -72.57 58.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.74 -61.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 33.6 t -165.03 93.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . 0.539 ' N ' ' CD ' ' A' 1052 ' ' PRO . 0.0 OUTLIER -65.65 -49.69 59.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' 1051 ' ' ARG . 18.3 Cg_endo -75.0 121.61 6.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.537 0.208 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -61.39 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -85.55 53.49 2.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.83 105.62 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.88 174.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.21 58.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.4 m -88.05 36.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.01 -40.32 53.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -22.95 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -63.21 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.733 HG22 HG22 ' A' ' 968' ' ' THR . 97.3 t -59.24 -38.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.861 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.5 m-85 -70.85 -18.82 62.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.4 OUTLIER -75.03 -69.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.515 HD21 HG21 ' A' ' 968' ' ' THR . 28.2 m-20 -41.49 -45.63 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 925' ' ' VAL . 54.5 t -52.45 -57.24 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 931' ' ' GLY . 1.3 p -67.64 -60.78 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -36.69 -48.83 1.33 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.819 HD22 HD22 ' A' ' 962' ' ' LEU . 0.2 OUTLIER -71.74 -50.12 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.5 t -50.94 -41.27 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 23.7 mttt -61.54 -48.32 81.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -59.65 -48.25 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' 1025 ' ' ALA . 2.4 t -38.51 -47.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.73 HD11 ' HB2' ' A' 1029 ' ' ALA . 2.6 mp -84.02 -62.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -33.09 -49.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 943' ' ' ILE . 2.9 ttp -44.6 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.553 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -38.68 -36.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.2 m -61.0 -50.44 73.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.899 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -106.92 28.71 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 1.123 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.53 -51.86 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 2.7 mt-30 -46.04 -51.47 31.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.99 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.899 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.46 130.51 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.422 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -75.01 176.17 10.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.4 Cg_endo -74.98 -13.8 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.24 -23.01 22.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -103.92 -4.85 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 1.123 ' CE1' HD11 ' A' ' 943' ' ' ILE . 10.1 t80 -94.12 -41.14 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.599 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.4 t -50.72 -46.93 86.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.1 Cg_endo -75.02 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -34.95 -66.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.989 HG21 ' HB2' ' A' 1002 ' ' MET . 0.9 OUTLIER -54.87 -52.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -30.77 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.61 69.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.03 -46.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.98 94.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -57.36 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -48.72 -47.56 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.819 HD22 HD22 ' A' ' 932' ' ' LEU . 0.3 OUTLIER -57.32 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -55.0 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 17.7 m -62.02 -42.58 99.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.693 HD22 HD13 ' A' ' 962' ' ' LEU . 0.5 OUTLIER -49.46 -48.04 47.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 962' ' ' LEU . 2.7 mp -52.02 -60.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.23 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.733 HG22 HG22 ' A' ' 925' ' ' VAL . 28.2 m -52.38 -40.15 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 965' ' ' LEU . 16.7 t -63.69 -35.75 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.408 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.2 t70 -52.32 -40.41 61.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 975' ' ' VAL . 11.6 mt-10 -71.8 -20.71 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.594 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.19 -30.68 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.511 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.2 OUTLIER -39.77 -51.6 5.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.05 -35.21 3.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 971' ' ' GLU . 36.0 t -47.25 -27.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.629 ' CD1' HG23 ' A' 1039 ' ' ILE . 1.4 mm? -109.87 158.78 33.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -164.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.25 174.99 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 21.94 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.755 HG23 ' HB2' ' A' 1042 ' ' ALA . 0.2 OUTLIER -114.89 -56.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.537 ' CD2' ' N ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -48.52 -23.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.582 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 980' ' ' THR . 0.2 OUTLIER -68.34 -79.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.491 ' HB2' HG11 ' A' 1038 ' ' VAL . 42.3 mt-10 -55.23 -21.15 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.668 HD11 ' CG1' ' A' 1039 ' ' ILE . 2.4 mt -73.34 -38.34 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 0.5 OUTLIER -62.89 -41.19 99.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.5 -26.47 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' 1035 ' ' LEU . . . -81.32 -24.83 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.76 -44.12 24.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -37.62 87.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -49.01 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 962' ' ' LEU . 11.8 tp -54.82 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.1 t-20 -49.81 -42.25 46.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.16 -69.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.651 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.2 m-20 -52.69 -36.11 56.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 999' ' ' ILE . 0.2 OUTLIER -54.44 -59.21 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -47.87 -50.6 25.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -59.71 -30.31 68.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 998' ' ' LEU . 0.1 OUTLIER -73.61 -47.46 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.7 HG12 HD12 ' A' ' 995' ' ' LEU . 48.7 mm -49.51 -49.19 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -66.12 -36.74 83.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.79 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.989 ' HB2' HG21 ' A' ' 955' ' ' VAL . 1.6 ttp -81.13 -38.86 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.62 -53.72 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' 1005 ' ' ALA . 4.6 pp -64.44 -35.87 82.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.597 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -71.77 -6.65 43.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -17.31 17.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -38.41 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.793 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 9.1 m-85 -72.05 -17.87 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.785 HG13 ' H ' ' A' 1010 ' ' MET . 2.2 p -40.15 -67.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.785 ' H ' HG13 ' A' 1009 ' ' VAL . 0.4 OUTLIER -43.62 -59.48 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 111.052 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.58 ' O ' ' CB ' ' A' 1012 ' ' SER . 90.1 m -36.66 -79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.3 m 152.72 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' 1013 ' ' LEU . 0.9 OUTLIER -61.78 -12.16 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' 1013 ' ' LEU . 17.7 tt0 -34.68 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -41.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' 1013 ' ' LEU . 7.9 tt0 -64.52 -51.42 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.793 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 25.7 m-85 -68.92 -27.16 65.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1014 ' ' GLN . 20.7 mmtm -65.37 -43.55 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.61 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -51.01 -51.98 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.446 ' SD ' HD23 ' A' ' 998' ' ' LEU . 2.3 tmm? -47.82 -57.11 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' 1022 ' ' LEU . 2.9 tm? -41.87 -49.41 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 3.0 m -46.29 -51.51 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.26 96.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -50.25 -35.01 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -64.59 -55.86 17.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.611 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.41 81.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.651 HD21 ' CB ' ' A' ' 994' ' ' ASP . 8.8 mt -56.08 -67.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.73 ' HB2' HD11 ' A' ' 937' ' ' ILE . . . -38.95 -43.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' 1033 ' ' LYS . 39.0 t -69.23 -49.43 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' 1028 ' ' LEU . 67.2 m-20 -43.88 -64.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.44 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -54.85 -25.5 29.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.1 OUTLIER -72.26 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -40.07 -31.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' 1033 ' ' LYS . 3.2 tp -61.97 -70.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.861 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -61.74 -38.81 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.42 -43.08 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.491 HG11 ' HB2' ' A' ' 983' ' ' GLU . 24.6 t -71.16 -33.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.668 ' CG1' HD11 ' A' ' 984' ' ' ILE . 25.9 mt -63.28 -48.94 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -45.04 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.595 ' HA ' HD21 ' A' 1044 ' ' LEU . 6.1 mt-30 -73.83 -20.74 60.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.234 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.755 ' HB2' HG23 ' A' ' 980' ' ' THR . . . -81.36 -55.17 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -45.04 -42.71 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' 1045 ' ' LYS . 4.4 pp -72.06 -33.04 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.638 ' N ' HD12 ' A' 1044 ' ' LEU . 5.7 tmtm? -50.71 -21.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 26.3 ttp -91.51 -26.14 18.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.6 mm -43.69 -55.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 1.1 t -82.81 86.0 6.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -174.88 -54.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.56 -59.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.19 113.75 7.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -89.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 8.2 m170 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 44.5 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.541 0.21 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -102.34 59.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -83.32 163.9 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.0 mp -123.93 53.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.36 -39.29 15.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 65.33 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 4.3 m -74.05 61.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -84.33 -33.26 23.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -38.12 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 1.7 tptp -60.04 -46.91 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 968' ' ' THR . 4.2 t -63.82 -41.04 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.926 ' CE1' HD21 ' A' 1036 ' ' LEU . 4.5 m-30 -70.37 -15.43 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 930' ' ' THR . 9.4 mm-40 -82.46 -66.61 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 924' ' ' LYS . 9.1 m120 -40.67 -41.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.78 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.509 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.7 p -47.79 -48.83 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -59.62 -23.92 59.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -79.82 -58.05 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.627 ' CG1' ' HB3' ' A' 1032 ' ' ALA . 15.7 m -65.49 -27.74 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -67.18 -38.57 85.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -74.54 -55.15 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' 1028 ' ' LEU . 0.4 OUTLIER -39.34 -35.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 938' ' ' GLU . 20.6 mt -85.02 -66.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.5 OUTLIER -32.69 -54.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 8.7 ttm -41.21 -65.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.841 ' CB ' HD23 ' A' 1022 ' ' LEU . 18.8 p -39.98 -38.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -60.53 -46.7 89.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.86 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -109.39 28.85 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.546 ' CG2' ' HA ' ' A' ' 940' ' ' SER . 0.3 OUTLIER -94.93 -52.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.24 -54.45 5.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.97 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.86 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -30.75 129.66 0.26 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.08 -13.98 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.64 -30.36 21.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.471 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -93.52 -5.79 48.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.0 OUTLIER -89.9 -43.86 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.15 -47.94 55.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.06 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -34.17 -51.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.881 HG21 ' HB2' ' A' 1002 ' ' MET . 18.6 t -66.67 -47.27 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -45.82 -39.77 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 960' ' ' LEU . 7.0 tt0 -59.74 -61.54 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . . . . . . . . . 83.1 t -41.68 -34.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.9 83.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.4 OUTLIER -55.36 -40.95 71.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -57.29 -41.43 79.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.584 HD11 ' HG ' ' A' ' 991' ' ' LEU . 1.5 mm? -58.94 -51.64 69.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -58.51 5.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 55.5 m -60.09 -46.07 90.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 1.064 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.2 tm? -47.47 -46.8 27.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 962' ' ' LEU . 0.3 OUTLIER -51.65 -64.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.09 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.526 HG22 HG22 ' A' ' 925' ' ' VAL . 1.8 m -51.17 -37.03 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 1.064 HG23 ' O ' ' A' ' 965' ' ' LEU . 61.4 t -65.26 -40.71 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.897 ' HA ' HD12 ' A' ' 973' ' ' LEU . 4.2 t70 -51.64 -32.52 29.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 975' ' ' VAL . 20.5 mt-10 -73.39 -23.09 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.57 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.0 OUTLIER -85.53 -28.86 24.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.897 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.2 OUTLIER -40.44 -51.58 6.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 51.4 t -53.56 -34.54 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.865 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.2 mm? -109.03 157.39 37.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.449 ' O ' ' NZ ' ' A' 1045 ' ' LYS . . . -69.63 166.01 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 76.97 31.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.637 ' HB ' HD12 ' A' ' 984' ' ' ILE . 0.6 OUTLIER -116.85 -60.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.873 ' HB3' HD21 ' A' ' 973' ' ' LEU . 1.6 p80 -44.88 -49.03 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -48.55 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.516 ' CB ' HG11 ' A' 1038 ' ' VAL . 7.4 mt-10 -51.69 -43.81 62.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.637 HD12 ' HB ' ' A' ' 980' ' ' THR . 84.3 mt -57.52 -32.88 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -64.85 -41.67 95.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.0 mtm -71.99 -18.44 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.94 -24.12 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -74.84 -40.31 61.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -37.21 67.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -41.57 77.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' A' ' 962' ' ' LEU . 8.8 tp -66.71 -60.11 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.12 -48.52 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 3.3 t -47.09 -71.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.583 ' HB3' HD21 ' A' 1028 ' ' LEU . 5.7 m-20 -50.96 -36.64 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.534 HD11 HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -55.11 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -41.03 -51.47 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.62 -43.06 84.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.787 HD13 ' CD1' ' A' 1028 ' ' LEU . 0.3 OUTLIER -66.94 -44.85 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . . . . . . . . . 33.1 mm -52.14 -45.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' 1001 ' ' LYS . 11.3 t-20 -71.26 -46.48 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' 1000 ' ' ASN . 14.3 mmtp -39.02 -36.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.881 ' HB2' HG21 ' A' ' 955' ' ' VAL . 13.4 tmm? -75.93 -55.52 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -49.6 -30.42 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' 1007 ' ' GLN . 21.7 mt -82.66 -61.81 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' 1009 ' ' VAL . . . -44.65 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.414 ' HG2' ' CB ' ' A' ' 948' ' ' PRO . 0.1 OUTLIER -52.12 -36.38 51.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1004 ' ' LEU . 6.3 tt0 -97.78 -31.64 12.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.637 ' CD2' ' CE2' ' A' 1017 ' ' TYR . 50.8 m-85 -88.46 30.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.61 HG23 ' HG3' ' A' 1014 ' ' GLN . 7.5 p -121.01 -49.27 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.592 ' HE2' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.84 51.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.592 HG23 ' HE2' ' A' 1010 ' ' MET . 1.1 p -145.86 -66.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 5.1 p 167.87 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.613 HD12 ' CD1' ' A' 1017 ' ' TYR . 0.8 OUTLIER -81.62 51.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.61 ' HG3' HG23 ' A' 1009 ' ' VAL . 8.4 tt0 -76.63 -65.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -47.64 -24.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -68.23 -59.74 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' 1008 ' ' TYR . 5.8 m-85 -74.22 -30.66 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.75 89.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -48.68 78.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -43.07 -53.64 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -44.72 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.841 HD23 ' CB ' ' A' ' 940' ' ' SER . 2.4 tm? -56.14 -47.82 77.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.7 m -42.61 -54.71 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.4 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.8 93.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -48.39 -37.67 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -57.06 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.16 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.787 ' CD1' HD13 ' A' ' 998' ' ' LEU . 7.6 mt -56.21 -65.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -39.5 -40.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' 1033 ' ' LYS . 14.9 t -71.81 -52.08 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.438 ' OD2' HD23 ' A' 1028 ' ' LEU . 72.1 m-20 -43.38 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.627 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -55.17 -32.99 62.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -66.42 -50.44 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.66 -23.28 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.26 -68.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.926 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.39 -40.54 96.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.6 -51.32 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.516 HG11 ' CB ' ' A' ' 983' ' ' GLU . 11.1 t -62.3 -38.53 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.865 HG23 ' HG ' ' A' ' 976' ' ' LEU . 12.2 mt -64.35 -41.71 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -39.14 62.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.546 ' HA ' HD21 ' A' 1044 ' ' LEU . 1.9 mt-30 -77.85 -18.54 56.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.633 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -84.36 -44.7 13.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -56.99 -39.81 75.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' 1045 ' ' LYS . 4.5 pp -74.25 -32.0 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -50.16 -21.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.404 ' N ' ' C ' ' A' 1044 ' ' LEU . 21.0 ttp -91.09 -25.66 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' 1044 ' ' LEU . 3.5 mm -45.14 -80.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 68.41 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.21 75.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 2.1 m -159.53 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.79 117.35 31.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 48.3 m80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.589 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.53 0.205 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -67.66 169.91 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.46 108.86 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 2.9 mp -125.04 112.37 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -88.29 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 4.6 m -86.19 -42.86 13.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -63.86 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -42.67 58.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 928' ' ' ASN . 0.5 OUTLIER -41.02 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.953 HG21 ' HB2' ' A' ' 972' ' ' SER . 65.1 t -48.76 -62.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.712 ' CE1' ' CD2' ' A' 1036 ' ' LEU . 0.2 OUTLIER -38.87 -62.59 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 928' ' ' ASN . 2.1 mm-40 -42.57 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 927' ' ' GLU . 14.1 m120 -39.58 -65.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' 1036 ' ' LEU . 84.7 t -39.93 -59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 2.0 m -55.34 -61.8 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 932' ' ' LEU . . . -43.88 -73.96 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -37.8 -39.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.743 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -69.98 -56.3 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 931' ' ' GLY . 0.2 OUTLIER -52.32 -21.45 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -85.12 -49.61 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 933' ' ' VAL . 0.3 OUTLIER -39.77 -38.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.7 mt -83.91 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.88 -47.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 943' ' ' ILE . 28.3 ttm -49.14 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.554 ' CB ' HD23 ' A' 1022 ' ' LEU . 4.9 m -41.57 -36.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.93 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.89 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -111.17 28.1 9.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -95.06 -49.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -46.23 -53.08 24.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -74.98 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -35.39 124.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 176.84 9.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.451 ' O ' ' NE2' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.99 -14.36 21.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 -14.78 36.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.499 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 3.7 tt0 -114.66 -9.53 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.681 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 8.7 t80 -89.62 -37.7 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.847 HG23 ' NE2' ' A' 1006 ' ' GLN . 1.0 OUTLIER -48.83 -48.02 71.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -29.06 -65.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.609 ' CG1' HD13 ' A' ' 999' ' ' ILE . 2.5 t -58.86 -47.96 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -49.56 -39.65 35.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -41.03 87.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 995' ' ' LEU . 97.8 t -57.89 -36.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.75 -44.96 91.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -42.27 91.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.38 95.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 966' ' ' LEU . 0.0 OUTLIER -61.95 -46.98 86.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . 0.438 ' N ' HD23 ' A' ' 962' ' ' LEU . 3.3 mtt180 -50.8 -51.44 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.824 ' O ' HG23 ' A' ' 968' ' ' THR . 2.9 m -64.97 -35.06 79.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.872 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.9 OUTLIER -56.51 -38.56 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.8 mp -62.29 -50.48 71.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -57.87 -57.58 12.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 964' ' ' THR . 56.6 p -51.39 -39.96 58.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 965' ' ' LEU . 15.8 t -56.35 -46.57 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -49.83 -41.34 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 975' ' ' VAL . 2.5 tt0 -73.69 -22.08 60.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.953 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.2 OUTLIER -85.23 -24.01 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 973' ' ' LEU . 0.1 OUTLIER -46.34 -53.01 25.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -31.79 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 971' ' ' GLU . 11.1 t -47.12 -32.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.789 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.0 OUTLIER -110.12 154.31 42.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.455 ' CG ' ' O ' ' A' 1042 ' ' ALA . 18.5 Cg_endo -74.95 155.26 43.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -57.18 107.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.46 -36.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.599 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 3.4 t -110.83 10.2 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -52.74 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -44.35 -58.7 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 987' ' ' ALA . 1.1 mt-10 -49.88 -47.19 52.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.497 HD11 HG12 ' A' 1039 ' ' ILE . 4.3 mt -51.8 -50.59 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -44.05 87.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -26.58 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 983' ' ' GLU . . . -70.78 -26.69 63.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.489 ' HG2' HD11 ' A' 1035 ' ' LEU . 4.6 mt-30 -74.56 -48.91 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.97 -34.65 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -56.39 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 54.4 tp -51.09 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -43.47 -53.05 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.661 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.4 m-20 -50.24 -40.96 49.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 958' ' ' VAL . 0.3 OUTLIER -54.27 -60.82 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.83 -53.36 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.69 -44.26 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.728 HD13 ' CD1' ' A' 1028 ' ' LEU . 1.9 tt -63.85 -43.99 94.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.609 HD13 ' CG1' ' A' ' 955' ' ' VAL . 14.2 mm -57.33 -48.15 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.44 -46.59 79.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -45.78 -45.02 14.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.519 ' HB2' HG21 ' A' ' 955' ' ' VAL . 4.9 ttp -64.3 -43.42 94.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -56.02 -27.73 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 43.9 mt -81.42 -58.78 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.681 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -40.84 -43.45 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.847 ' NE2' HG23 ' A' ' 952' ' ' VAL . 1.1 tp60 -41.91 -43.51 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -34.14 10.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' 1017 ' ' TYR . 37.8 m-85 -87.72 39.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' 1014 ' ' GLN . 2.6 p -112.4 -45.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.537 ' O ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -86.98 57.98 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.537 HG23 ' O ' ' A' 1010 ' ' MET . 1.2 p -155.07 20.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1014 ' ' GLN . 0.9 OUTLIER 73.34 -54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -38.66 -26.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' 1012 ' ' SER . 0.4 OUTLIER -30.88 -69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.1 OUTLIER -36.62 -49.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' 1013 ' ' LEU . 6.9 tp10 -65.39 -59.24 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.705 ' CZ ' ' CG ' ' A' 1008 ' ' TYR . 0.4 OUTLIER -45.59 -37.29 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.48 ' CD ' ' HG2' ' A' 1014 ' ' GLN . 0.6 OUTLIER -59.72 -45.41 92.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 -40.83 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -53.75 -58.21 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -47.49 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.728 HD13 ' C ' ' A' 1022 ' ' LEU . 1.9 tm? -52.77 -53.55 46.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 4.5 m -39.4 -51.95 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.69 76.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -44.85 -37.34 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -56.73 15.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.728 ' CD1' HD13 ' A' ' 998' ' ' LEU . 11.6 mt -58.59 -66.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.743 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -38.29 -38.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.7 t -76.82 -49.73 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1028 ' ' LEU . 35.8 t0 -44.61 -58.92 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.563 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -58.38 -33.35 69.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' 1037 ' ' ASP . 0.0 OUTLIER -66.26 -57.36 7.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 12.4 t30 -46.88 -30.81 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.846 ' O ' HG12 ' A' 1038 ' ' VAL . 5.4 tt -59.25 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.712 ' CD2' ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -66.78 -35.4 79.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' 1033 ' ' LYS . 30.5 t0 -47.78 -56.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.846 HG12 ' O ' ' A' 1035 ' ' LEU . 11.0 p -58.52 -32.12 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.789 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.9 mt -67.14 -45.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 7.5 t0 -48.62 -39.27 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.619 ' HA ' HD21 ' A' 1044 ' ' LEU . 6.5 mt-30 -72.82 -26.89 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 980' ' ' THR . . . -81.44 -45.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -50.99 -47.56 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.773 HD12 ' N ' ' A' 1045 ' ' LYS . 4.3 pp -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.773 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.55 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' 1044 ' ' LEU . 0.5 OUTLIER -80.54 -55.47 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.9 mp -44.47 -52.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 3.1 m -82.43 66.96 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -165.06 174.18 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 1.2 m -78.84 80.16 5.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 1.3 ttp-105 -63.12 111.7 5.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -175.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.433 1.754 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.516 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 919' ' ' ASP . . . -72.16 147.54 46.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -46.09 -43.93 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.4 mp -118.21 55.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . 0.713 ' HB2' ' HB3' ' A' ' 916' ' ' ALA . 0.8 OUTLIER -109.81 -56.89 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 923' ' ' ASP . 1.1 tpm_? -87.97 67.48 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -35.5 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 0.4 OUTLIER -61.27 -24.07 66.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 924' ' ' LYS . 0.0 OUTLIER -75.53 -32.08 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 923' ' ' ASP . 2.3 ttmt -60.77 -58.15 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.885 ' O ' HG23 ' A' ' 929' ' ' VAL . 86.4 t -58.63 -41.11 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 1.082 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.2 m-85 -68.26 -19.77 64.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 931' ' ' GLY . 0.7 OUTLIER -76.11 -68.19 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -44.13 -38.46 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 925' ' ' VAL . 78.1 t -58.07 -54.39 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' GLY . 4.9 p -73.62 -59.67 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -35.64 -49.01 0.99 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -71.52 -50.35 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -52.14 -35.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 938' ' ' GLU . 0.1 OUTLIER -61.56 -47.73 84.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -65.05 -44.68 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.423 HG23 HD12 ' A' ' 932' ' ' LEU . 14.4 t -39.9 -45.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 938' ' ' GLU . 1.7 mp -84.46 -63.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.4 -43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 942' ' ' LYS . 1.4 ttp -49.0 -71.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.555 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.9 t -40.04 -31.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.946 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.59 71.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.852 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -104.38 23.44 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.956 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.3 OUTLIER -93.47 -51.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -41.31 -54.54 5.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.3 Cg_endo -74.98 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.852 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.01 127.95 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.463 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -75.0 177.18 8.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.503 ' CB ' ' OE1' ' A' 1006 ' ' GLN . 18.4 Cg_endo -74.98 -20.15 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.81 -17.73 40.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.466 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -109.94 -2.87 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.956 ' CE1' HD11 ' A' ' 943' ' ' ILE . 6.5 t80 -92.31 -36.17 13.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.58 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -52.49 -47.36 93.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.3 Cg_endo -75.02 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.505 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -30.71 -53.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.811 HG21 ' CB ' ' A' 1002 ' ' MET . 51.3 t -65.76 -52.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 953' ' ' PRO . 1.5 mmtt -40.14 -37.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -60.08 3.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -45.31 -42.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.467 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -56.6 -48.04 79.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -43.99 74.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.07 81.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.969 HD13 HD13 ' A' ' 995' ' ' LEU . 1.6 mt -60.69 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.93 -55.72 24.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 -35.76 73.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.8 tm? -53.7 -53.92 45.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 8.2 mp -46.64 -55.61 7.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.8 87.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.529 HG22 HG22 ' A' ' 925' ' ' VAL . 90.1 m -52.23 -47.1 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 965' ' ' LEU . 86.8 t -60.11 -38.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 9.0 t70 -50.08 -37.4 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.505 ' C ' ' HD2' ' A' ' 974' ' ' PRO . 20.1 mt-10 -77.22 -23.29 51.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.695 ' HB2' HG21 ' A' ' 925' ' ' VAL . 0.2 OUTLIER -85.76 -28.56 24.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.07 -50.92 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.94 -36.19 2.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 972' ' ' SER . 15.1 t -47.37 -30.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.738 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.3 mm? -109.08 159.86 29.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 979' ' ' SER . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -66.28 73.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 977' ' ' PRO . 19.3 t -147.6 -43.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.068 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.889 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 1.4 t -91.32 -7.37 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -54.01 -57.75 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.634 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.08 -66.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.34 -40.25 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.707 HD11 ' CG1' ' A' 1039 ' ' ILE . 14.0 mt -55.18 -49.06 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -23.0 61.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.62 69.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -62.18 -54.49 40.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -57.66 -26.62 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -53.65 35.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 11.2 tp -57.42 -50.63 72.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.428 ' HA ' HD23 ' A' ' 995' ' ' LEU . 0.9 OUTLIER -49.29 -59.52 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 992' ' ' ASN . 44.6 t -38.73 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' 1028 ' ' LEU . 12.7 t0 -53.59 -40.62 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.969 HD13 HD13 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -50.02 -56.29 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -54.8 -40.99 70.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.47 -40.3 96.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.962 HD13 ' CD1' ' A' 1028 ' ' LEU . 3.2 tt -68.82 -35.96 77.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.686 HD13 ' CG1' ' A' ' 955' ' ' VAL . 32.6 mm -65.62 -43.1 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.593 ' O ' HD23 ' A' 1004 ' ' LEU . 35.0 t30 -68.13 -46.41 70.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -35.31 8.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.811 ' CB ' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -81.38 -26.06 35.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' 1002 ' ' MET . 8.3 mtmt -64.2 -50.13 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' 1000 ' ' ASN . 0.1 OUTLIER -66.0 -56.15 13.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.612 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -42.15 -46.04 4.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 948' ' ' PRO . 0.3 OUTLIER -40.81 -43.81 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -97.23 -29.33 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.763 ' CG ' ' CE2' ' A' 1017 ' ' TYR . 33.4 m-85 -89.63 26.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.895 HG23 ' HG3' ' A' 1014 ' ' GLN . 12.9 p -118.46 -51.18 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.738 ' CE ' HG23 ' A' 1011 ' ' THR . 0.0 OUTLIER -73.99 52.62 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.738 HG23 ' CE ' ' A' 1010 ' ' MET . 0.7 OUTLIER -144.9 -70.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' 1008 ' ' TYR . 0.2 OUTLIER -80.99 50.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.895 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.9 OUTLIER -85.16 -70.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.6 OUTLIER -37.06 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.3 tp10 -72.18 -66.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.763 ' CE2' ' CG ' ' A' 1008 ' ' TYR . 4.6 m-85 -59.14 -21.52 59.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.557 ' CE ' HD12 ' A' ' 943' ' ' ILE . 0.7 OUTLIER -71.64 -40.83 69.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -60.04 -60.34 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' 1022 ' ' LEU . 5.4 ptm -53.89 -24.09 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.751 HD13 ' C ' ' A' 1022 ' ' LEU . 1.7 tm? -73.81 -49.61 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 14.5 m -42.81 -51.72 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.29 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' 1022 ' ' LEU . . . -52.38 -36.23 53.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -55.59 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.12 75.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.962 ' CD1' HD13 ' A' ' 998' ' ' LEU . 9.4 mt -58.67 -65.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.62 -40.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.4 t -73.8 -49.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.89 -58.95 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.52 65.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' 1030 ' ' VAL . 0.0 OUTLIER -65.38 -62.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.638 ' O ' HG23 ' A' 1038 ' ' VAL . 11.1 t-20 -40.42 -39.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.94 -67.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 1.082 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.3 OUTLIER -64.39 -42.21 96.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' 1036 ' ' LEU . 2.5 t70 -39.87 -52.5 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 1034 ' ' ASN . 65.4 t -61.07 -41.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.738 HG23 ' HG ' ' A' ' 976' ' ' LEU . 10.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' 1044 ' ' LEU . 0.0 OUTLIER -73.48 -20.05 60.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.889 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -90.41 -39.08 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -51.42 -55.27 19.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' 1045 ' ' LYS . 0.0 OUTLIER -66.64 -34.28 77.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' 1044 ' ' LEU . 6.6 tmtm? -48.77 -27.01 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 1.8 ttm -81.88 -27.93 33.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' 1044 ' ' LEU . 7.7 mm -59.31 -62.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.22 76.46 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -177.83 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 21.3 t -169.31 106.22 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.05 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.97 148.45 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.548 0.214 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.89 100.92 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.9 65.56 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.71 51.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -104.96 41.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -65.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 63.4 m -86.93 -24.54 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 926' ' ' TYR . 1.6 t-20 -69.15 -12.92 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.24 -45.49 39.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -53.36 58.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 929' ' ' VAL . 12.0 t -56.71 -47.14 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.798 ' CE1' HD21 ' A' 1036 ' ' LEU . 3.4 m-85 -64.68 -28.8 69.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.36 -68.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.562 ' OD1' HG21 ' A' ' 968' ' ' THR . 15.0 m120 -43.67 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 925' ' ' VAL . 74.4 t -41.99 -59.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 934' ' ' LYS . 1.7 p -66.72 -64.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.42 -47.57 0.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -69.32 -51.67 34.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.0 OUTLIER -54.82 -29.78 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 930' ' ' THR . 0.2 OUTLIER -63.05 -49.09 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.48 95.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.468 HG23 HD12 ' A' ' 932' ' ' LEU . 41.1 t -40.24 -48.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' 1029 ' ' ALA . 1.4 mp -84.35 -61.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.4 OUTLIER -36.15 -49.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 943' ' ' ILE . 29.4 ttm -47.66 -63.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.56 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 89.2 p -43.77 -33.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -40.19 93.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.896 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.8 OUTLIER -112.96 25.42 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.63 -48.57 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.15 -54.42 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -74.99 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -31.66 128.56 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.476 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.5 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.02 -15.83 20.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.64 -24.53 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.465 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.3 OUTLIER -99.93 -5.23 28.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.588 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.1 t80 -92.81 -40.39 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.1 t -49.9 -46.83 81.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.4 Cg_endo -75.01 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.511 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -33.41 -51.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 999' ' ' ILE . 54.6 t -66.55 -50.04 70.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -45.2 -32.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -42.72 70.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.691 HG13 HD11 ' A' ' 995' ' ' LEU . 0.4 OUTLIER -55.0 -46.81 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.444 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -54.77 -45.69 78.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -48.39 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.74 90.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 1.016 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -65.52 -38.57 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . 0.742 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -61.32 -56.3 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 968' ' ' THR . 3.6 m -56.41 -34.68 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.968 ' O ' HG23 ' A' ' 969' ' ' VAL . 2.1 tm? -51.28 -47.81 62.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 966' ' ' LEU . 4.2 mt -57.7 -50.79 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 970' ' ' ASP . . . -57.9 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 964' ' ' THR . 62.8 p -40.6 -46.09 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 965' ' ' LEU . 69.1 t -53.18 -46.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 973' ' ' LEU . 33.4 t0 -51.62 -28.82 15.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.847 ' O ' HG23 ' A' ' 975' ' ' VAL . 3.7 tt0 -75.17 -23.78 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.446 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.0 OUTLIER -86.09 -21.26 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 970' ' ' ASP . 0.2 OUTLIER -48.07 -53.31 34.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -74.95 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 971' ' ' GLU . 48.0 t -59.63 -29.55 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.9 OUTLIER -105.97 158.36 32.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.764 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -73.68 168.27 19.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.05 34.08 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.85 HG21 ' HB3' ' A' ' 976' ' ' LEU . 0.8 OUTLIER -113.93 -55.89 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.871 ' HB3' HD21 ' A' ' 973' ' ' LEU . 1.8 p80 -48.15 -62.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 981' ' ' HIS . 0.1 OUTLIER -33.1 -71.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -61.18 -45.94 92.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.558 HD12 ' HB ' ' A' ' 980' ' ' THR . 45.3 mt -53.89 -39.61 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.696 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.8 OUTLIER -58.36 -48.7 79.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.8 mtm -65.03 -17.82 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' 1035 ' ' LEU . . . -84.73 -29.17 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.415 ' OE1' HG21 ' A' ' 969' ' ' VAL . 2.0 mm100 -75.7 -45.12 38.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -44.51 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 965' ' ' LEU . 14.3 tp -64.26 -63.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -46.16 -40.45 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 43.8 t -54.62 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.719 ' CB ' HD21 ' A' 1028 ' ' LEU . 2.2 m-20 -45.48 -35.58 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.691 HD11 HG13 ' A' ' 958' ' ' VAL . 0.2 OUTLIER -61.81 -67.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -38.75 -53.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -56.08 -48.33 76.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.606 HD13 ' C ' ' A' ' 998' ' ' LEU . 2.3 tm? -61.91 -44.6 96.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 955' ' ' VAL . 19.8 mm -58.26 -41.27 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.43 -48.04 44.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' 1004 ' ' LEU . 1.8 tptt -60.39 -61.92 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.639 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -46.16 -31.82 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.0 OUTLIER -64.61 -37.8 88.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' 1001 ' ' LYS . 5.6 mt -80.16 -37.33 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -45.99 -39.17 8.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.621 ' O ' HG12 ' A' 1009 ' ' VAL . 1.3 mp0 -51.48 -42.66 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -30.22 16.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.513 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.9 m-85 -87.71 39.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.868 HG23 ' HG3' ' A' 1014 ' ' GLN . 7.1 p -127.4 -44.74 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -26.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.719 HG23 ' H ' ' A' 1013 ' ' LEU . 9.3 t -104.48 -163.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' 1011 ' ' THR . 7.4 p -79.24 -27.09 42.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.731 HD13 ' HB3' ' A' 1016 ' ' GLU . 0.2 OUTLIER -41.91 -28.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.868 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.6 OUTLIER -37.12 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -37.06 -33.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.731 ' HB3' HD13 ' A' 1013 ' ' LEU . 0.3 OUTLIER -65.71 -62.2 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.553 ' HD1' HD12 ' A' 1013 ' ' LEU . 1.6 m-85 -58.91 -41.88 88.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.407 ' HD2' HG23 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -52.36 -34.93 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . 0.426 ' HE2' ' CA ' ' A' 1019 ' ' LYS . 0.2 OUTLIER -78.62 -24.24 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.44 -59.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' 1022 ' ' LEU . 4.3 ppp? -55.6 -35.61 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.653 HD13 ' C ' ' A' 1022 ' ' LEU . 2.5 tm? -58.8 -48.63 80.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 24.0 m -50.75 -44.5 58.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' 1028 ' ' LEU . . . -66.27 -42.22 88.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.415 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -57.36 -34.32 68.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -69.43 -51.87 32.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.04 79.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.719 HD21 ' CB ' ' A' ' 994' ' ' ASP . 11.5 mt -59.13 -66.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.755 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -38.89 -40.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' 1033 ' ' LYS . 6.2 t -74.43 -53.06 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -44.61 -55.13 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 1.185 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.489 ' HB3' ' CG2' ' A' ' 933' ' ' VAL . . . -57.06 -34.51 68.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' 1030 ' ' VAL . 4.3 tptt -70.14 -51.65 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 5.1 t30 -48.96 -34.82 13.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.436 ' CB ' ' HB1' ' A' ' 987' ' ' ALA . 3.4 tt -59.4 -68.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.798 HD21 ' CE1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -48.15 -37.52 15.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' 1042 ' ' ALA . 2.7 t -78.48 -25.72 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.514 HG23 HD11 ' A' ' 976' ' ' LEU . 13.9 mt -69.85 -58.34 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.9 -53.68 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.768 ' HA ' HD21 ' A' 1044 ' ' LEU . 19.1 pt20 -63.89 -29.18 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.852 ' HB3' HD12 ' A' ' 976' ' ' LEU . . . -70.46 -50.55 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.43 ' N ' ' CD1' ' A' ' 976' ' ' LEU . 2.1 ttp-105 -44.81 -67.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.768 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.1 pp -41.79 -44.17 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' 1042 ' ' ALA . 0.2 OUTLIER -39.42 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.454 ' N ' ' C ' ' A' 1044 ' ' LEU . 10.5 ttp -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' 1048 ' ' SER . 1.9 mp -45.55 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . 0.455 ' N ' HG22 ' A' 1047 ' ' ILE . 0.2 OUTLIER -66.8 72.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' 1047 ' ' ILE . 0.0 OUTLIER -174.29 42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.03 -50.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -100.9 108.55 54.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.68 3.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.192 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -91.12 92.42 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.01 -179.35 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.5 mp -124.5 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.16 -63.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.56 39.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.9 p -87.07 -87.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -64.71 -13.98 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.1 t0 -76.63 -33.07 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.17 57.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.53 -56.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.863 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.5 m-30 -59.43 -31.18 69.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 27.0 mm-40 -73.39 -52.22 14.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -50.62 -49.02 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.725 HG22 HD12 ' A' ' 965' ' ' LEU . 49.2 t -56.59 -60.08 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 934' ' ' LYS . 1.3 p -49.93 -52.58 32.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -57.98 -30.32 63.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.32 -57.77 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 0.719 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' 1032 ' ' ALA . 27.0 m -64.77 -36.1 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 930' ' ' THR . 9.4 mmtt -57.69 -33.95 68.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -84.37 -46.68 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.498 HG23 HD12 ' A' ' 932' ' ' LEU . 5.0 t -38.12 -41.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 938' ' ' GLU . 25.7 mt -83.77 -65.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -31.09 -45.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 942' ' ' LYS . 2.1 ttp -49.6 -70.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.518 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 79.6 p -38.69 -34.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 1.4 m -64.93 -49.38 70.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.845 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -103.11 24.09 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.772 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.81 -51.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.491 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.0 OUTLIER -43.13 -53.36 10.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -51.68 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.845 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -32.69 128.41 0.36 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.469 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.4 Cg_endo -74.92 177.24 8.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.04 -20.34 16.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.82 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.78 56.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.436 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -117.35 -2.89 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.772 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.2 t80 -92.57 -41.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.2 t -49.89 -47.49 80.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.5 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.469 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -31.93 -54.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.784 HG11 ' HA ' ' A' ' 999' ' ' ILE . 42.7 t -66.97 -50.11 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.8 OUTLIER -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -61.45 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.448 ' O ' HD23 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -45.14 -44.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.417 ' N ' ' CG1' ' A' ' 958' ' ' VAL . . . -55.5 -41.0 79.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -51.98 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -40.3 -59.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.81 ' HG ' HD22 ' A' ' 995' ' ' LEU . 3.6 mm? -44.04 -55.65 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.61 -55.35 6.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 968' ' ' THR . 11.6 m -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.826 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.2 OUTLIER -53.63 -40.84 66.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.0 mp -58.17 -58.95 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -51.22 -57.92 7.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 964' ' ' THR . 77.0 p -49.72 -42.74 46.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 965' ' ' LEU . 38.8 t -60.15 -41.2 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -49.14 -42.63 40.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 975' ' ' VAL . 17.2 mt-10 -70.99 -23.39 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.736 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -84.19 -27.46 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.2 OUTLIER -41.34 -53.83 6.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.01 -34.37 3.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 971' ' ' GLU . 25.2 t -46.47 -32.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.852 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.7 OUTLIER -110.02 154.21 42.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.01 -165.24 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.797 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -65.53 161.31 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 m 87.81 16.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.554 ' CG2' ' CB ' ' A' 1042 ' ' ALA . 2.1 p -116.54 -55.96 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 985' ' ' GLU . 12.7 p80 -46.81 -21.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 980' ' ' THR . 12.4 tpp180 -83.21 -69.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.996 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.2 OUTLIER -61.76 -41.16 97.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 980' ' ' THR . 4.9 mt -56.48 -55.77 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 981' ' ' HIS . 3.8 tm-20 -52.76 -43.36 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -27.22 64.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -79.61 -15.67 57.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -84.75 -47.8 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 993' ' ' SER . 6.1 tmtt? -56.81 -43.83 81.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.753 HD12 HD22 ' A' 1028 ' ' LEU . 33.8 tp -51.94 -46.16 64.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.506 ' HA ' HD23 ' A' ' 995' ' ' LEU . 25.8 t-20 -61.87 -38.5 88.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 989' ' ' LYS . 29.0 t -58.82 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.656 ' CB ' HD21 ' A' 1028 ' ' LEU . 1.4 m-20 -53.21 -22.19 6.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.81 HD22 ' HG ' ' A' ' 962' ' ' LEU . 0.2 OUTLIER -65.07 -59.97 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . 0.412 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -55.25 -53.71 52.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -24.54 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' 1028 ' ' LEU . 0.3 OUTLIER -71.85 -53.3 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.784 ' HA ' HG11 ' A' ' 955' ' ' VAL . 1.5 mp -49.04 -48.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1001 ' ' LYS . 3.0 t-20 -62.57 -51.35 67.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 11.7 mmtt -39.81 -36.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.574 ' HB2' HG21 ' A' ' 955' ' ' VAL . 9.8 tmm? -76.68 -57.67 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' 1002 ' ' MET . 4.0 mtpm? -42.51 -28.31 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' 1002 ' ' MET . 9.6 mt -83.66 -57.12 3.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -40.62 -31.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.797 ' O ' HG12 ' A' 1009 ' ' VAL . 2.1 mt-30 -56.54 -54.17 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.56 -7.4 57.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 20.0 m-85 -108.09 27.34 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' 1006 ' ' GLN . 5.3 p -119.13 -35.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.5 ' CE ' ' HB ' ' A' 1011 ' ' THR . 0.0 OUTLIER -81.48 16.29 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.5 ' HB ' ' CE ' ' A' 1010 ' ' MET . 4.7 t -134.11 9.12 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' 1011 ' ' THR . 1.2 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.495 HD12 ' CD1' ' A' 1008 ' ' TYR . 0.2 OUTLIER -62.43 -14.03 36.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.549 ' HB2' HG23 ' A' 1009 ' ' VAL . 1.8 tt0 -44.06 -80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' 1014 ' ' GLN . 3.4 pp0? -36.65 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' 1014 ' ' GLN . 4.9 tt0 -69.53 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 5.8 m-85 -69.95 -10.48 58.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.0 OUTLIER -70.29 -52.05 25.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -31.01 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -59.64 -61.74 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' 1022 ' ' LEU . 2.1 ptm -54.04 -24.37 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.495 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -73.78 -45.55 51.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 29.3 m -46.66 -46.74 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.81 58.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . 0.425 ' HA ' HG13 ' A' ' 936' ' ' VAL . . . -58.73 -31.56 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.9 OUTLIER -75.27 -53.26 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.37 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.753 HD22 HD12 ' A' ' 991' ' ' LEU . 8.3 mt -56.21 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.485 ' HA ' ' CG1' ' A' ' 933' ' ' VAL . . . -38.21 -46.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' 1033 ' ' LYS . 2.5 t -70.82 -53.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -42.87 -53.36 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.834 ' HB3' HG11 ' A' ' 933' ' ' VAL . . . -55.78 -39.34 71.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' 1030 ' ' VAL . 2.3 tppt? -65.67 -44.06 87.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -56.49 -33.66 66.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.44 -62.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.863 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -65.31 -41.05 94.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -40.06 -50.93 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.996 HG11 ' HB3' ' A' ' 983' ' ' GLU . 51.2 t -62.81 -41.76 93.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.852 HG23 ' HG ' ' A' ' 976' ' ' LEU . 18.9 mt -58.77 -45.67 91.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . 0.5 ' HA ' ' CD ' ' A' 1043 ' ' ARG . 0.5 OUTLIER -50.46 -40.68 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' 1045 ' ' LYS . 28.5 mt-30 -75.52 -18.51 59.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 977' ' ' PRO . . . -79.96 -64.38 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.5 ' CD ' ' HA ' ' A' 1040 ' ' ASP . 0.0 OUTLIER -38.24 -64.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' 1045 ' ' LYS . 4.2 pp -52.24 -38.87 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.622 ' N ' HD12 ' A' 1044 ' ' LEU . 0.6 OUTLIER -42.98 -27.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.424 ' N ' ' C ' ' A' 1044 ' ' LEU . 0.0 OUTLIER -90.9 -56.28 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.17 -47.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 3.9 t -55.41 -62.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -58.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 39.1 t -172.94 125.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.994 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -93.46 117.01 67.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -175.67 2.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.533 0.206 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 918' ' ' LEU . . . -104.09 94.87 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.16 69.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . 0.474 HD13 ' HB1' ' A' ' 916' ' ' ALA . 3.9 mp -125.02 55.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -83.3 8.68 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 50.6 m -87.31 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.671 ' ND2' HH22 ' A' 1043 ' ' ARG . 12.3 p-10 -71.5 -7.46 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.43 -28.42 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 968' ' ' THR . 68.4 t -56.37 -45.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 922' ' ' ASN . 3.8 m-85 -66.87 -34.61 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -66.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -45.18 -41.0 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 930' ' ' THR . 2.1 t -55.74 -63.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.444 ' N ' HG12 ' A' ' 929' ' ' VAL . 3.3 p -55.09 -65.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -35.81 -36.88 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.864 HD23 HG13 ' A' ' 933' ' ' VAL . 0.0 OUTLIER -68.86 -72.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.864 HG13 HD23 ' A' ' 932' ' ' LEU . 8.1 m -48.27 -30.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.17 -38.55 86.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -79.8 -49.38 12.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 935' ' ' ALA . 3.7 t -36.9 -39.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 938' ' ' GLU . 11.3 mt -84.82 -68.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -32.51 -48.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 943' ' ' ILE . 1.4 ttp -47.27 -66.38 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' 1022 ' ' LEU . 1.5 m -38.17 -37.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 4.7 t -63.85 -51.81 62.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.858 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -98.72 25.13 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.614 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.0 OUTLIER -94.09 -49.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.48 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 0.0 OUTLIER -45.2 -53.19 17.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.4 Cg_endo -74.96 -50.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.77 123.27 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.471 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.05 177.88 8.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.471 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -15.18 20.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.83 -26.34 21.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.539 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.5 OUTLIER -102.02 -12.67 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.73 ' HE2' ' HB3' ' A' 1005 ' ' ALA . 16.5 t80 -89.86 -31.14 17.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.607 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.5 t -50.65 -46.55 85.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.05 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 953' ' ' PRO . 0.6 OUTLIER -31.47 -64.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.958 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.851 HG21 ' HB2' ' A' 1002 ' ' MET . 25.1 t -56.42 -51.38 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -47.71 -35.06 9.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -39.5 91.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -56.83 -41.95 76.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -57.92 -39.36 91.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -41.23 86.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -73.12 -41.84 63.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 1.018 ' O ' HD22 ' A' ' 962' ' ' LEU . 0.0 OUTLIER -68.11 -39.59 82.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . 0.745 ' N ' HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -62.64 -51.24 68.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.414 ' O ' ' HB ' ' A' ' 968' ' ' THR . 21.3 m -59.1 -27.95 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.4 OUTLIER -56.56 -57.05 14.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . . . . . . . . . 5.6 mp -46.62 -52.46 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -58.69 -55.19 38.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -52.54 -36.25 55.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 965' ' ' LEU . 56.2 t -64.46 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 12.2 t70 -50.6 -39.72 50.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.4 mt-10 -69.57 -23.08 63.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 1.002 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -83.83 -32.35 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 973' ' ' LEU . 0.3 OUTLIER -36.58 -53.13 1.81 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -74.96 -40.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 971' ' ' GLU . 66.2 t -51.99 -34.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 972' ' ' SER . 0.2 OUTLIER -108.57 159.3 31.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.488 ' O ' HG23 ' A' ' 980' ' ' THR . 18.3 Cg_endo -75.0 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.463 ' HB1' ' CE1' ' A' ' 981' ' ' HIS . . . -63.23 -13.17 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 54.6 p -59.94 -18.98 49.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.807 HG22 ' HB1' ' A' 1042 ' ' ALA . 0.7 OUTLIER -106.08 40.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.463 ' CE1' ' HB1' ' A' ' 978' ' ' ALA . 6.8 m170 -84.79 -95.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.401 ' HB3' ' HE3' ' A' ' 986' ' ' MET . 84.0 mtt180 -54.07 -44.43 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -50.26 -46.38 54.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 988' ' ' GLN . 4.4 mt -68.12 -35.23 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.56 -41.29 98.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' A' ' 982' ' ' ARG . 2.6 mtm -69.85 -35.82 75.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.13 62.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.515 HE22 HG21 ' A' ' 969' ' ' VAL . 3.7 mm-40 -83.29 -42.95 16.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -25.63 67.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -57.36 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.63 -48.73 39.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.458 ' HA ' HD23 ' A' ' 995' ' ' LEU . 7.5 t30 -57.29 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 992' ' ' ASN . 0.3 OUTLIER -38.49 -56.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 1.033 ' CB ' HD11 ' A' 1028 ' ' LEU . 46.1 m-20 -61.87 -41.93 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.573 HD22 HD11 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -47.94 -50.51 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.28 64.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -56.64 -28.4 60.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -48.83 16.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.462 ' CG1' HD12 ' A' ' 995' ' ' LEU . 3.4 mm -59.32 -53.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.08 -52.07 67.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -47.54 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.851 ' HB2' HG21 ' A' ' 955' ' ' VAL . 3.7 tmm? -60.32 -50.41 73.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -50.97 -28.74 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.83 -51.22 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.73 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -47.49 -37.95 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.48 ' CD ' ' CG2' ' A' ' 952' ' ' VAL . 1.2 mt-30 -51.11 -37.28 45.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -28.62 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.692 ' CG ' ' CE1' ' A' 1017 ' ' TYR . 23.5 m-85 -90.23 30.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.521 HG23 ' HG3' ' A' 1014 ' ' GLN . 6.5 p -117.81 -50.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.42 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -42.01 -26.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.682 HG23 ' HB2' ' A' 1013 ' ' LEU . 4.3 t -106.03 170.18 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 17.1 m -56.03 -20.92 18.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.81 HD13 ' HB3' ' A' 1016 ' ' GLU . 0.2 OUTLIER -51.03 -22.31 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.521 ' HG3' HG23 ' A' 1009 ' ' VAL . 0.0 OUTLIER -41.84 -77.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -39.78 -29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.81 ' HB3' HD13 ' A' 1013 ' ' LEU . 2.9 tt0 -67.82 -61.09 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.692 ' CE1' ' CG ' ' A' 1008 ' ' TYR . 0.8 OUTLIER -65.62 -16.04 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 111.029 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.41 ' CE ' ' HG2' ' A' 1014 ' ' GLN . 0.0 OUTLIER -71.66 -40.53 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' 1023 ' ' THR . 2.7 mmpt? -70.38 -31.04 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -64.49 -65.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -50.83 -25.48 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 940' ' ' SER . 0.2 OUTLIER -74.62 -53.86 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' 1019 ' ' LYS . 5.9 m -38.32 -45.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' 1026 ' ' HIS . . . -77.09 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -44.81 -25.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . 0.439 ' N ' ' C ' ' A' 1024 ' ' ALA . 26.4 t60 -76.06 -62.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.22 95.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 1.033 HD11 ' CB ' ' A' ' 994' ' ' ASP . 1.9 mm? -48.76 -65.57 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.808 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -39.5 -52.11 2.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.89 -43.87 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.475 ' HA ' ' ND2' ' A' 1034 ' ' ASN . 68.9 m-20 -54.84 -47.96 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.529 ' HB3' HG11 ' A' ' 933' ' ' VAL . . . -58.7 -22.47 57.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -47.11 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.503 ' OD1' ' C ' ' A' 1034 ' ' ASN . 9.7 p30 -60.92 -22.42 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.958 ' O ' HG12 ' A' 1038 ' ' VAL . 0.2 OUTLIER -65.62 -62.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' 1035 ' ' LEU . 0.3 OUTLIER -68.95 -39.65 79.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.16 -40.75 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' 1035 ' ' LEU . 1.2 p -72.16 -26.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.914 HG23 ' HG ' ' A' ' 976' ' ' LEU . 11.4 mt -73.35 -52.4 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -52.31 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.785 ' HA ' HD21 ' A' 1044 ' ' LEU . 15.3 mt-30 -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.807 ' HB1' HG22 ' A' ' 980' ' ' THR . . . -72.33 -57.4 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.671 HH22 ' ND2' ' A' ' 922' ' ' ASN . 11.0 ttm180 -38.77 -63.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.785 HD21 ' HA ' ' A' 1041 ' ' GLN . 2.6 pp -47.51 -43.02 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.518 ' N ' HD12 ' A' 1044 ' ' LEU . 8.0 tttp -43.8 -34.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 19.2 ttp -83.7 -49.32 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.0 mp -46.15 -57.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.57 57.75 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -168.3 33.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 7.6 t -164.79 81.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.83 122.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.17 27.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 21.5 t60 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.641 179.967 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . 0.544 ' O ' HD12 ' A' ' 918' ' ' LEU . . . -51.11 -49.07 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.71 91.31 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 916' ' ' ALA . 3.8 mp -85.32 71.45 10.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 923' ' ' ASP . 10.6 p-10 -103.23 33.21 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -86.14 -78.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.11 -48.05 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -56.27 -19.83 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 927' ' ' GLU . 0.4 OUTLIER -74.99 -45.96 38.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 972' ' ' SER . 23.9 t -74.1 -62.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.951 ' CD1' HD21 ' A' 1036 ' ' LEU . 3.7 m-30 -50.26 -21.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 923' ' ' ASP . 1.5 mm-40 -71.42 -67.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 927' ' ' GLU . 0.5 OUTLIER -38.68 -49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 1.016 HG21 HD13 ' A' 1036 ' ' LEU . 29.3 t -50.55 -56.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' GLY . 10.5 p -68.54 -63.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -34.3 -59.55 0.63 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.2 OUTLIER -55.96 -50.38 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.774 HG22 ' HA ' ' A' 1029 ' ' ALA . 0.9 OUTLIER -55.82 -55.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 933' ' ' VAL . 0.6 OUTLIER -39.95 -38.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -77.52 -51.69 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.9 -40.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.479 ' O ' ' C ' ' A' ' 938' ' ' GLU . 3.3 mt -84.41 -68.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -32.37 -47.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.533 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 13.4 ttm -44.95 -68.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.481 ' CA ' ' HB ' ' A' ' 943' ' ' ILE . 22.8 m -38.92 -39.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 938' ' ' GLU . 3.3 t -59.15 -61.81 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.88 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -91.1 28.62 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.862 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.4 OUTLIER -93.14 -52.87 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.5 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.08 -52.91 11.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.04 -50.48 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.88 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -31.07 124.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.467 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -75.02 177.51 8.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -14.48 21.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.15 -21.27 22.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.443 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.4 OUTLIER -106.08 -6.34 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.862 ' CE1' HD11 ' A' ' 943' ' ' ILE . 13.6 t80 -92.89 -40.74 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -50.11 -47.35 81.8 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.02 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.82 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.461 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.1 OUTLIER -33.11 -54.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.79 HG11 ' HG2' ' A' 1002 ' ' MET . 2.5 t -66.23 -54.24 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -39.93 -30.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.0 OUTLIER -72.55 -52.57 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -53.08 -38.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.596 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -62.35 -41.47 99.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.35 87.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.816 HD13 HD22 ' A' ' 995' ' ' LEU . 1.8 mt -54.03 -47.98 70.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.82 -54.09 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 968' ' ' THR . 1.2 m -61.69 -44.66 96.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 969' ' ' VAL . 3.5 tp -43.2 -47.63 6.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.1 mp -56.39 -58.02 9.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -50.53 -62.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 964' ' ' THR . 72.8 p -49.64 -44.54 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 965' ' ' LEU . 37.6 t -59.29 -37.88 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 3.6 t70 -49.43 -40.13 35.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 975' ' ' VAL . 4.3 tt0 -72.61 -22.53 60.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.436 ' HA ' ' HB ' ' A' ' 975' ' ' VAL . 0.2 OUTLIER -86.76 -16.02 37.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.791 HD22 ' CD2' ' A' ' 981' ' ' HIS . 0.2 OUTLIER -53.84 -53.02 62.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.4 Cg_endo -75.0 -35.28 3.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 971' ' ' GLU . 55.8 t -48.69 -29.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.818 HD12 ' HB3' ' A' 1042 ' ' ALA . 0.4 OUTLIER -109.44 164.45 14.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 976' ' ' LEU . 18.2 Cg_endo -74.99 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -83.96 45.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.94 2.21 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.86 HG22 ' CB ' ' A' 1042 ' ' ALA . 0.6 OUTLIER -116.08 -29.67 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.358 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.791 ' CD2' HD22 ' A' ' 973' ' ' LEU . 25.7 m170 -45.29 -31.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -71.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.925 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.0 OUTLIER -50.73 -44.18 58.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 1.076 HG23 HD11 ' A' 1035 ' ' LEU . 13.7 mt -61.45 -36.11 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -46.76 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 3.6 mtm -74.92 -22.14 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -82.07 -24.86 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -46.98 13.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -37.66 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . 0.539 HD22 ' OD1' ' A' 1031 ' ' ASP . 0.7 OUTLIER -62.99 -49.48 74.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.663 HD21 HD23 ' A' ' 962' ' ' LEU . 30.7 tp -56.23 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.594 ' HA ' HD23 ' A' ' 995' ' ' LEU . 51.4 t30 -40.92 -48.71 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.32 -72.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.47 -21.77 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.816 HD22 HD13 ' A' ' 962' ' ' LEU . 0.1 OUTLIER -68.55 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 995' ' ' LEU . . . -48.92 -54.7 14.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.79 -37.39 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.755 HD13 HD12 ' A' 1028 ' ' LEU . 10.5 tt -68.05 -45.46 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 955' ' ' VAL . 45.6 mm -55.06 -52.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.09 -37.82 81.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -46.18 84.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.79 ' HG2' HG11 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -70.37 -23.18 62.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' 1002 ' ' MET . 0.4 OUTLIER -68.67 -40.63 80.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' 1005 ' ' ALA . 27.6 mt -72.12 -54.54 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.686 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -38.34 -48.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.515 ' O ' HG12 ' A' 1009 ' ' VAL . 1.8 tt0 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -29.33 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.765 ' CD1' ' CZ ' ' A' 1017 ' ' TYR . 15.6 m-85 -90.37 34.29 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' 1010 ' ' MET . 11.5 p -124.88 -54.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.546 ' N ' HG13 ' A' 1009 ' ' VAL . 0.0 OUTLIER -56.31 -40.12 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.696 HG23 ' H ' ' A' 1012 ' ' SER . 0.1 OUTLIER -49.53 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.696 ' H ' HG23 ' A' 1011 ' ' THR . 29.6 t 176.43 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.73 HD23 ' N ' ' A' 1013 ' ' LEU . 0.2 OUTLIER -70.59 57.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' 1009 ' ' VAL . 43.7 tt0 -85.35 -73.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -43.21 -33.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -66.45 -58.02 6.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.765 ' CZ ' ' CD1' ' A' 1008 ' ' TYR . 3.3 m-85 -68.05 -13.25 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' 1021 ' ' MET . 0.0 OUTLIER -71.49 -46.8 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -37.93 89.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -50.85 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' 1022 ' ' LEU . 6.0 ptm -55.34 -25.38 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' 1021 ' ' MET . 0.3 OUTLIER -70.37 -45.68 65.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 22.7 m -47.41 -46.63 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.16 55.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.48 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' 1022 ' ' LEU . 0.7 OUTLIER -75.23 -54.38 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.74 81.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 998' ' ' LEU . 10.3 mt -53.65 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -40.95 -43.17 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.5 t -70.96 -43.82 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.539 ' OD1' HD22 ' A' ' 990' ' ' LEU . 72.4 m-20 -54.55 -52.39 62.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.74 -26.63 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' 1035 ' ' LEU . 29.8 mmtt -73.46 -63.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' 1038 ' ' VAL . 9.2 m-20 -40.85 -29.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 1.076 HD11 HG23 ' A' ' 984' ' ' ILE . 21.2 tp -62.97 -70.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 1.016 HD13 HG21 ' A' ' 929' ' ' VAL . 0.2 OUTLIER -65.92 -41.38 91.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -42.62 -41.84 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.925 HG11 ' HB3' ' A' ' 983' ' ' GLU . 74.7 t -71.77 -39.25 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.627 ' CG1' HD11 ' A' ' 984' ' ' ILE . 7.6 mt -53.77 -59.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.65 -44.62 27.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.74 ' HA ' HD21 ' A' 1044 ' ' LEU . 0.9 OUTLIER -69.59 -25.83 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.86 ' CB ' HG22 ' A' ' 980' ' ' THR . . . -79.28 -47.86 15.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -45.78 -54.35 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.74 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.0 pp -55.75 -44.91 78.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.51 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -42.87 -32.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 10.5 ttp -85.58 -48.24 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.43 -70.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 5.1 t -73.46 70.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.33 29.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -59.3 4.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.28 122.58 79.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.484 0.183 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . 0.617 ' HB2' HG12 ' A' 1047 ' ' ILE . . . -79.76 152.71 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.91 137.55 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . 0.507 HD21 ' NH2' ' A' 1043 ' ' ARG . 4.9 mp -123.71 99.28 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -167.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.27 17.52 5.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.477 ' ND2' HD23 ' A' ' 918' ' ' LEU . 2.6 p-10 -70.58 -8.14 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 1.8 t70 -76.39 -35.25 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -44.35 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 929' ' ' VAL . 31.0 t -58.66 -49.52 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 1.185 ' CD1' HD11 ' A' 1036 ' ' LEU . 7.2 m-30 -65.46 -29.55 70.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -69.88 -52.21 26.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.545 ' OD1' HG21 ' A' ' 968' ' ' THR . 10.9 m120 -55.73 -50.54 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.987 HG22 HD21 ' A' ' 965' ' ' LEU . 84.7 t -50.79 -55.72 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 931' ' ' GLY . 2.9 p -60.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 930' ' ' THR . . . -36.25 -53.57 1.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.1 OUTLIER -58.69 -52.08 67.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' 1029 ' ' ALA . 1.2 t -57.03 -56.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 933' ' ' VAL . 0.2 OUTLIER -40.13 -37.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -75.59 -50.09 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 935' ' ' ALA . 0.4 OUTLIER -34.57 -42.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 938' ' ' GLU . 4.1 mt -84.63 -67.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.3 OUTLIER -34.73 -53.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.489 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -46.17 -61.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.557 ' HB3' HD23 ' A' 1022 ' ' LEU . 57.8 m -41.85 -37.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 6.4 t -64.78 -55.35 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.881 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -90.12 24.07 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 951' ' ' TYR . 0.1 OUTLIER -93.36 -54.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 945' ' ' PRO . 1.4 tt0 -45.94 -49.92 37.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.881 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -37.07 135.12 0.66 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.473 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.3 Cg_endo -74.98 177.57 8.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.3 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.55 -28.62 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.557 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.1 OUTLIER -92.85 -8.2 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.609 ' CE2' ' CD1' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -83.42 -49.08 9.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 0.9 OUTLIER -47.34 -47.5 57.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.55 ' HE3' HG12 ' A' ' 943' ' ' ILE . 0.8 OUTLIER -28.92 -60.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.746 ' CG1' HD13 ' A' ' 999' ' ' ILE . 6.8 t -60.93 -52.12 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -44.37 -32.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -51.37 59.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 955' ' ' VAL . 0.3 OUTLIER -51.29 -36.37 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.15 96.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -38.76 88.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.88 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.922 HD13 ' HG ' ' A' ' 995' ' ' LEU . 0.0 OUTLIER -63.18 -34.69 78.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -57.53 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 968' ' ' THR . 3.4 m -53.61 -29.37 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.987 HD21 HG22 ' A' ' 929' ' ' VAL . 0.0 OUTLIER -58.06 -53.24 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 962' ' ' LEU . 6.9 mp -48.81 -49.84 37.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -59.74 -59.06 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 964' ' ' THR . 69.9 p -51.79 -37.53 51.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 965' ' ' LEU . 82.8 t -62.33 -43.35 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 16.1 t70 -49.12 -38.35 24.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 975' ' ' VAL . 6.4 mt-10 -76.82 -24.28 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.663 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -85.08 -27.69 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -42.51 -52.2 10.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.3 Cg_endo -75.05 -34.02 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 971' ' ' GLU . 21.6 t -46.64 -32.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.856 ' HG ' HG23 ' A' 1039 ' ' ILE . 0.7 OUTLIER -109.81 154.84 42.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' 1042 ' ' ALA . 18.2 Cg_endo -75.0 -175.73 2.52 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . . . . . . . . . . . -54.63 176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.88 29.79 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.649 ' CG2' ' HB1' ' A' 1042 ' ' ALA . 1.0 OUTLIER -117.31 -59.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 985' ' ' GLU . 2.7 p80 -44.34 -52.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.53 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.716 ' CB ' HG11 ' A' 1038 ' ' VAL . 13.0 mt-10 -54.76 -45.07 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 980' ' ' THR . 8.6 mt -56.64 -30.66 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 981' ' ' HIS . 0.0 OUTLIER -65.94 -44.39 85.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 2.0 mtm -66.86 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -86.39 -33.22 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.11 -46.7 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -55.32 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 991' ' ' LEU . 0.0 OUTLIER -50.17 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -41.35 -56.79 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 1.026 ' CB ' HD11 ' A' 1028 ' ' LEU . 43.3 m-20 -47.23 -47.56 24.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.922 ' HG ' HD13 ' A' ' 962' ' ' LEU . 0.3 OUTLIER -48.8 -62.39 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 995' ' ' LEU . . . -37.57 -52.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 995' ' ' LEU . 0.2 OUTLIER -59.02 -40.81 86.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.746 HD13 ' CG1' ' A' ' 955' ' ' VAL . 6.0 mm -64.89 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -42.43 -36.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -54.33 47.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.641 ' HB3' HG21 ' A' ' 955' ' ' VAL . 0.8 OUTLIER -57.42 -20.06 27.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' 1002 ' ' MET . 5.6 mtpt -77.38 -29.41 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 23.5 mt -89.48 -50.73 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -47.21 -34.33 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -35.51 70.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.8 -27.8 13.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.733 ' CD1' ' CE1' ' A' 1017 ' ' TYR . 9.5 m-85 -87.83 26.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.664 HG23 ' HG3' ' A' 1014 ' ' GLN . 4.1 p -113.48 -48.83 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -40.93 96.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' 1012 ' ' SER . 0.2 OUTLIER -50.51 -62.08 1.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' 1011 ' ' THR . 0.6 OUTLIER 161.02 -26.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.657 HD23 ' N ' ' A' 1013 ' ' LEU . 0.3 OUTLIER -78.37 53.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.664 ' HG3' HG23 ' A' 1009 ' ' VAL . 18.7 tt0 -84.46 -75.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -25.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.47 -58.2 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.733 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 4.2 m-85 -65.14 -25.4 67.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.425 ' HG3' HG23 ' A' ' 943' ' ' ILE . 11.5 mptt -67.54 -34.02 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -32.77 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -56.38 -68.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 5.2 ppp? -52.36 -31.19 32.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.699 HD13 ' C ' ' A' 1022 ' ' LEU . 2.1 tm? -61.21 -58.81 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 2.0 m -39.92 -48.14 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.58 76.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.59 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -59.86 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 1.026 HD11 ' CB ' ' A' ' 994' ' ' ASP . 0.4 OUTLIER -59.16 -61.38 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 933' ' ' VAL . . . -39.69 -43.78 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.6 t -73.06 -48.49 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . . . . . . . . . 18.7 t0 -43.47 -48.72 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.83 85.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.85 -38.13 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.62 -36.71 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.06 -61.84 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 1.185 HD11 ' CD1' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -62.32 -39.88 94.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -45.85 -44.08 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.716 HG11 ' CB ' ' A' ' 983' ' ' GLU . 46.9 t -68.3 -31.49 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.856 HG23 ' HG ' ' A' ' 976' ' ' LEU . 13.1 mt -70.91 -40.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -45.89 70.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.561 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.1 pt20 -71.35 -22.82 61.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.649 ' HB1' ' CG2' ' A' ' 980' ' ' THR . . . -75.18 -47.19 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.507 ' NH2' HD21 ' A' ' 918' ' ' LEU . 0.0 OUTLIER -53.61 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' 1041 ' ' GLN . 1.5 pp -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' 1044 ' ' LEU . 0.2 OUTLIER -38.99 -36.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . . . . . . . . . 5.1 ttp -80.91 -51.88 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.617 HG12 ' HB2' ' A' ' 916' ' ' ALA . 2.4 mt -53.41 -40.25 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 5.9 t -103.12 107.09 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.87 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.17 66.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -109.02 133.94 20.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . 0.429 ' O ' ' CG ' ' A' 1053 ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.463 0.173 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -77.38 156.86 30.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -87.03 126.26 34.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.89 90.8 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -96.86 25.25 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -72.71 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 925' ' ' VAL . 70.3 m -88.0 20.36 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -73.94 -45.31 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 927' ' ' GLU . 0.9 OUTLIER -75.67 -21.16 57.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -61.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 968' ' ' THR . 43.8 t -55.06 -37.47 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 1.043 ' CZ ' HD21 ' A' 1036 ' ' LEU . 3.3 m-85 -74.87 -21.94 58.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 923' ' ' ASP . 3.3 mm-40 -81.6 -61.08 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -47.42 -36.24 9.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 925' ' ' VAL . 54.8 t -66.43 -63.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -63.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . . . . . . . . . . . -47.69 -28.14 5.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 932' ' ' LEU . 0.0 OUTLIER -71.47 -59.16 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.793 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 1029 ' ' ALA . 31.9 m -65.45 -39.09 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -60.08 -30.11 69.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 936' ' ' VAL . . . -90.35 -51.43 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 935' ' ' ALA . 1.2 t -38.23 -37.81 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 938' ' ' GLU . 19.2 mt -84.33 -64.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.528 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.1 OUTLIER -28.57 -48.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.484 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 1.1 ttp -42.39 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.527 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 3.7 m -37.87 -37.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -51.55 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.775 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.0 OUTLIER -105.11 28.88 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.88 HD11 ' CZ ' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.77 -50.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.1 OUTLIER -43.39 -52.9 12.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 946' ' ' ALA . 18.2 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -33.81 130.33 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 951' ' ' TYR . 18.5 Cg_endo -74.97 176.33 10.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.438 ' HG3' HG21 ' A' 1009 ' ' VAL . 18.2 Cg_endo -75.02 -17.54 19.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.37 -16.79 36.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.434 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.2 OUTLIER -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.88 ' CZ ' HD11 ' A' ' 943' ' ' ILE . 1.3 t80 -93.17 -40.67 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.687 HG23 ' CD ' ' A' 1006 ' ' GLN . 1.0 OUTLIER -51.44 -47.42 89.05 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.01 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.472 ' CE ' HG12 ' A' ' 943' ' ' ILE . 0.4 OUTLIER -32.77 -53.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.53 ' CG1' HD13 ' A' ' 999' ' ' ILE . 93.9 t -68.04 -49.95 63.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 953' ' ' PRO . 1.5 mmmp? -43.99 -36.23 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 960' ' ' LEU . 8.4 tt0 -65.47 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 961' ' ' ALA . 48.7 t -43.09 -46.99 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -54.68 -39.89 68.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 957' ' ' GLU . 0.3 OUTLIER -62.45 -35.69 80.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 958' ' ' VAL . . . -56.25 -46.02 79.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 966' ' ' LEU . 3.4 mm? -54.64 -54.9 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.24 -55.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 27.6 m -64.61 -45.73 85.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.963 ' O ' HG23 ' A' ' 969' ' ' VAL . 0.1 OUTLIER -50.38 -48.99 55.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 962' ' ' LEU . 3.6 mp -48.12 -59.73 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -54.06 -50.24 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.877 HG23 HG22 ' A' ' 925' ' ' VAL . 0.4 OUTLIER -54.85 -36.88 65.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 965' ' ' LEU . 78.1 t -64.02 -43.18 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.418 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 20.4 t0 -49.96 -35.38 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 975' ' ' VAL . 8.6 tt0 -77.5 -23.77 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.528 ' O ' HD22 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -85.63 -29.49 24.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -41.17 -51.5 7.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.1 Cg_endo -74.98 -35.06 3.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 971' ' ' GLU . 16.3 t -47.09 -27.29 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.799 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.5 mm? -109.3 146.16 33.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' 1046 ' ' MET . 18.1 Cg_endo -75.05 159.45 41.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 979' ' ' SER . . . -57.72 118.56 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 978' ' ' ALA . 1.3 p 158.82 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.961 ' OG1' HG12 ' A' 1038 ' ' VAL . 10.0 t -116.88 34.88 4.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 982' ' ' ARG . 30.7 m170 -80.76 -78.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 985' ' ' GLU . 6.3 tpt180 -38.24 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.944 ' HB3' HG11 ' A' 1038 ' ' VAL . 0.1 OUTLIER -41.38 -51.75 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.74 HD11 ' CG1' ' A' 1039 ' ' ILE . 25.9 mt -60.71 -39.47 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -64.55 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . . . . . . . . . 4.9 mtp -78.63 -27.87 45.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -76.54 -17.84 59.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . 0.49 ' HG2' HD11 ' A' 1035 ' ' LEU . 2.0 mm100 -82.16 -45.91 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -36.96 84.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -40.26 96.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 962' ' ' LEU . 16.0 tp -58.1 -55.16 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.04 -58.14 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 7.9 t -43.67 -59.38 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.777 ' CB ' HD11 ' A' 1028 ' ' LEU . 35.3 m-20 -56.89 -47.19 81.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 998' ' ' LEU . 0.2 OUTLIER -49.91 -57.26 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -43.2 -51.25 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -58.05 -34.48 70.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.579 HD11 ' SD ' ' A' 1021 ' ' MET . 0.2 OUTLIER -74.65 -48.07 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.53 HD13 ' CG1' ' A' ' 955' ' ' VAL . 51.2 mm -53.88 -46.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 1003 ' ' LYS . 22.4 t30 -63.09 -49.57 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.553 ' HA ' HD21 ' A' 1004 ' ' LEU . 7.7 mmtm -40.99 -35.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.599 ' HG3' ' CE1' ' A' ' 951' ' ' TYR . 1.7 ttp -80.05 -40.72 27.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' 1000 ' ' ASN . 2.7 mtpt -52.55 -50.24 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . 0.553 HD21 ' HA ' ' A' 1001 ' ' LYS . 0.5 OUTLIER -66.33 -52.53 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . . . . . . . . . . . -54.64 -18.52 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.687 ' CD ' HG23 ' A' ' 952' ' ' VAL . 3.3 tp-100 -76.08 -30.35 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.86 -31.08 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.75 ' CE2' ' CZ ' ' A' 1017 ' ' TYR . 2.3 m-85 -71.67 -28.22 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.481 HG13 ' H ' ' A' 1010 ' ' MET . 2.0 p -40.65 -55.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' 1010 ' ' MET . 3.4 ttp -67.47 57.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' 1012 ' ' SER . 31.5 m -160.02 -36.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' 1011 ' ' THR . 3.9 t 98.96 -5.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.54 ' HG ' ' CG2' ' A' 1011 ' ' THR . 0.3 OUTLIER -83.11 -9.31 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' 1015 ' ' GLN . 0.0 OUTLIER -46.59 -53.07 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' 1014 ' ' GLN . 9.2 pt20 -35.64 -42.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -67.09 -59.02 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.75 ' CZ ' ' CE2' ' A' 1008 ' ' TYR . 24.5 m-85 -59.67 -22.26 61.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' 1014 ' ' GLN . 0.8 OUTLIER -69.39 -41.02 77.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -63.11 -33.73 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -62.95 -44.86 94.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . 0.579 ' SD ' HD11 ' A' ' 998' ' ' LEU . 0.0 OUTLIER -55.92 -42.32 75.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.503 HD13 ' C ' ' A' 1022 ' ' LEU . 3.3 tm? -61.19 -56.55 19.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' 1022 ' ' LEU . 1.8 m -37.62 -49.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.22 64.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -48.29 -25.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -71.51 -62.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.34 75.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.777 HD11 ' CB ' ' A' ' 994' ' ' ASP . 1.0 OUTLIER -61.07 -64.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.546 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -40.11 -36.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 3.3 t -78.8 -46.77 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' 1028 ' ' LEU . 7.9 m-20 -43.79 -51.78 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.61 98.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -48.33 64.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.545 ' O ' HG23 ' A' 1038 ' ' VAL . 3.8 m-20 -50.69 -46.0 58.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . 0.49 HD11 ' HG2' ' A' ' 988' ' ' GLN . 4.0 tt -43.18 -59.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 1.043 HD21 ' CZ ' ' A' ' 926' ' ' TYR . 0.2 OUTLIER -72.09 -43.99 63.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.2 -44.52 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.961 HG12 ' OG1' ' A' ' 980' ' ' THR . 83.9 t -67.23 -42.67 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.799 HG23 ' HG ' ' A' ' 976' ' ' LEU . 6.6 mt -53.74 -53.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -42.38 42.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.759 ' HA ' HD21 ' A' 1044 ' ' LEU . 3.3 mt-30 -61.41 -22.02 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.657 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -79.99 -55.46 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -46.48 -59.87 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.2 pp -50.36 -46.84 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.637 ' N ' HD12 ' A' 1044 ' ' LEU . 0.0 OUTLIER -51.21 -26.45 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.475 ' CB ' ' HG3' ' A' ' 977' ' ' PRO . 0.8 OUTLIER -95.84 -37.99 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.87 -57.19 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 7.4 t -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.2 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 33.0 m 41.6 59.6 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -92.3 114.56 62.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.46 35.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 20.8 t60 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.953 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 915' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.496 0.188 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 916' ' ' ALA . . . . . . . . . . . . . . . -103.34 62.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 917' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -88.14 155.57 19.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . . . . . . . . . 8.9 mp -116.81 32.08 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 921' ' ' SER . 0.4 OUTLIER -54.52 166.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 920' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 921' ' ' SER . 19.3 tpp180 -38.58 95.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 920' ' ' ARG . 0.5 OUTLIER -29.26 109.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 922' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 922' ' ' ASN . 0.8 OUTLIER -55.92 -18.27 8.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 923' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -74.21 -40.04 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 924' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -43.89 93.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . 0.842 HG11 ' OG ' ' A' ' 972' ' ' SER . 52.2 t -69.28 -45.11 79.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 926' ' ' TYR . . . . . 0.914 ' CD1' HD11 ' A' 1036 ' ' LEU . 1.8 m-85 -64.32 -23.45 67.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 931' ' ' GLY . 3.2 mm-40 -69.9 -68.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 928' ' ' ASN . . . . . 0.545 ' OD1' HG21 ' A' ' 968' ' ' THR . 22.2 m120 -47.2 -23.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 925' ' ' VAL . 13.6 t -75.45 -66.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 930' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 926' ' ' TYR . 2.8 t -62.91 -48.64 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 931' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 927' ' ' GLU . . . -50.43 -41.04 40.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 932' ' ' LEU . . . . . 0.883 HD23 HG13 ' A' ' 933' ' ' VAL . 0.0 OUTLIER -58.75 -65.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 0.733 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 933' ' ' VAL . . . . . 0.883 HG13 HD23 ' A' ' 932' ' ' LEU . 19.9 m -52.97 -39.23 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 934' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 930' ' ' THR . 0.0 OUTLIER -49.78 -32.26 13.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -87.35 -44.25 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 936' ' ' VAL . . . . . . . . . . . . . 42.3 t -41.63 -47.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 937' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 938' ' ' GLU . 18.4 mt -73.01 -64.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 937' ' ' ILE . 0.2 OUTLIER -32.18 -45.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 939' ' ' MET . . . . . 0.481 ' O ' ' HB ' ' A' ' 943' ' ' ILE . 2.0 ttp -45.21 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.616 ' HA ' ' CG2' ' A' ' 943' ' ' ILE . 15.5 p -40.88 -34.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 941' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 938' ' ' GLU . 1.1 t -57.32 -53.46 57.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.836 ' O ' ' HB2' ' A' ' 946' ' ' ALA . 0.1 OUTLIER -108.62 32.57 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 943' ' ' ILE . . . . . 0.909 HD11 ' CE1' ' A' ' 951' ' ' TYR . 0.2 OUTLIER -94.24 -51.98 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 944' ' ' GLN . . . . . 0.49 ' N ' ' CG2' ' A' ' 943' ' ' ILE . 0.5 OUTLIER -42.28 -53.17 9.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 945' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 944' ' ' GLN . 18.3 Cg_endo -75.01 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.836 ' HB2' ' O ' ' A' ' 942' ' ' LYS . . . -34.15 126.87 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 947' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 948' ' ' PRO . 18.2 Cg_endo -74.98 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 947' ' ' PRO . 18.1 Cg_endo -75.04 -13.5 21.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.18 -23.8 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 950' ' ' GLU . . . . . 0.427 ' C ' ' HD2' ' A' ' 953' ' ' PRO . 0.0 OUTLIER -104.35 -7.21 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 951' ' ' TYR . . . . . 0.909 ' CE1' HD11 ' A' ' 943' ' ' ILE . 34.0 t80 -93.18 -38.2 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 952' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 953' ' ' PRO . 1.0 OUTLIER -51.14 -48.17 85.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 953' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 952' ' ' VAL . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 954' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' A' ' 942' ' ' LYS . 0.0 OUTLIER -35.06 -68.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 955' ' ' VAL . . . . . 0.748 HG21 ' HG3' ' A' 1002 ' ' MET . 63.3 t -53.05 -54.46 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 955' ' ' VAL . 2.9 mtpt -39.52 -33.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 955' ' ' VAL . 0.7 OUTLIER -67.33 -58.03 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 958' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 959' ' ' GLY . 0.3 OUTLIER -44.56 -46.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 962' ' ' LEU . . . -55.4 -39.8 74.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 960' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.26 99.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 961' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.96 90.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 962' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 995' ' ' LEU . 4.0 mt -58.69 -52.8 64.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 963' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -55.74 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 964' ' ' THR . . . . . . . . . . . . . 12.4 m -57.66 -44.17 85.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 1.026 ' O ' HG23 ' A' ' 969' ' ' VAL . 1.2 tt -48.48 -51.59 26.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.534 HD23 HD23 ' A' ' 965' ' ' LEU . 50.6 mt -46.14 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.34 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 968' ' ' THR . . . . . 0.545 HG21 ' OD1' ' A' ' 928' ' ' ASN . 90.6 m -50.73 -47.68 59.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 965' ' ' LEU . 23.1 t -58.77 -37.76 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 970' ' ' ASP . . . . . 0.413 ' O ' ' HD3' ' A' ' 974' ' ' PRO . 4.2 t70 -48.9 -42.82 38.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 971' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 975' ' ' VAL . 53.1 mt-10 -69.43 -23.06 63.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 972' ' ' SER . . . . . 0.842 ' OG ' HG11 ' A' ' 925' ' ' VAL . 0.5 OUTLIER -84.29 -30.0 25.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 973' ' ' LEU . . . . . 0.493 ' N ' ' CD ' ' A' ' 974' ' ' PRO . 0.1 OUTLIER -38.32 -52.49 3.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 974' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 973' ' ' LEU . 18.2 Cg_endo -75.01 -36.16 2.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 975' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 971' ' ' GLU . 47.4 t -48.16 -32.18 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.746 ' HG ' HG23 ' A' 1039 ' ' ILE . 1.5 mm? -110.69 160.03 30.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' 1042 ' ' ALA . 18.4 Cg_endo -74.98 149.75 37.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 978' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 981' ' ' HIS . . . -49.67 -23.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 87.8 p -43.13 -29.81 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.941 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 980' ' ' THR . . . . . 0.77 ' HB ' ' HB2' ' A' 1042 ' ' ALA . 5.2 t -116.57 45.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 981' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 978' ' ' ALA . 0.0 OUTLIER -80.83 -83.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.563 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 982' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 985' ' ' GLU . 25.5 tpp180 -40.01 -63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 983' ' ' GLU . . . . . 0.655 ' HB3' HG11 ' A' 1038 ' ' VAL . 38.0 mt-10 -39.12 -51.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.831 HD11 ' CG1' ' A' 1039 ' ' ILE . 9.1 mt -63.25 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 985' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 982' ' ' ARG . 0.1 OUTLIER -63.0 -33.36 75.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 986' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 982' ' ' ARG . 11.7 mtp -81.48 -23.93 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 987' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.8 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 988' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.35 -50.63 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -43.42 86.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 990' ' ' LEU . . . . . 0.675 HD22 ' OD2' ' A' 1031 ' ' ASP . 1.0 OUTLIER -59.02 -53.36 59.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 991' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 995' ' ' LEU . 14.8 tp -48.83 -54.3 15.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 992' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 995' ' ' LEU . 4.8 t30 -55.5 -65.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 993' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.78 -56.24 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 994' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' 1028 ' ' LEU . 0.6 OUTLIER -62.04 -34.92 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 995' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 995' ' ' LEU . 0.1 OUTLIER -58.14 -60.23 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.6 26.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 997' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -33.53 60.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.657 HD23 ' N ' ' A' ' 999' ' ' ILE . 0.5 OUTLIER -74.33 -48.52 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 999' ' ' ILE . . . . . 0.657 ' N ' HD23 ' A' ' 998' ' ' LEU . 17.1 mm -55.79 -41.95 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1000 ' ' ASN . . . . . 0.409 ' C ' ' N ' ' A' 1002 ' ' MET . 4.5 t-20 -65.74 -56.31 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' 1000 ' ' ASN . 0.2 OUTLIER -39.86 -31.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1002 ' ' MET . . . . . 0.748 ' HG3' HG21 ' A' ' 955' ' ' VAL . 0.0 OUTLIER -80.11 -52.22 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.404 ' HA ' ' HE1' ' A' 1002 ' ' MET . 6.0 mtmt -49.41 -23.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 12.3 mt -88.46 -42.16 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1005 ' ' ALA . . . . . 0.743 ' HB3' ' HE2' ' A' ' 951' ' ' TYR . . . -50.81 -22.22 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1006 ' ' GLN . . . . . 0.503 ' O ' HG12 ' A' 1009 ' ' VAL . 6.1 tp60 -73.23 -36.99 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.88 -38.29 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1008 ' ' TYR . . . . . 0.816 ' HD1' HD23 ' A' 1013 ' ' LEU . 70.2 m-85 -85.78 45.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1009 ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' 1010 ' ' MET . 3.4 p -135.31 -45.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1010 ' ' MET . . . . . 0.514 ' C ' ' O ' ' A' 1009 ' ' VAL . 0.0 OUTLIER -28.32 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1011 ' ' THR . . . . . 0.782 HG23 ' H ' ' A' 1012 ' ' SER . 0.0 OUTLIER -45.87 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1012 ' ' SER . . . . . 0.782 ' H ' HG23 ' A' 1011 ' ' THR . 3.0 p 168.84 32.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.816 HD23 ' HD1' ' A' 1008 ' ' TYR . 5.2 tp -84.39 -12.23 54.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' 1016 ' ' GLU . 0.1 OUTLIER -36.73 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1015 ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' 1014 ' ' GLN . 13.3 pt20 -33.56 -36.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.509 ' OE1' HD11 ' A' 1013 ' ' LEU . 5.3 tt0 -66.93 -67.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1017 ' ' TYR . . . . . 0.754 ' CE1' ' CD1' ' A' 1008 ' ' TYR . 2.3 m-85 -62.77 -29.72 70.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.4 ' NZ ' HG21 ' A' ' 943' ' ' ILE . 0.0 OUTLIER -50.6 -51.02 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1019 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.39 97.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1020 ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -51.97 -51.77 54.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1021 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -46.2 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' 1026 ' ' HIS . 0.1 OUTLIER -54.6 -40.93 69.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 1.7 m -51.96 -44.64 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.73 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1025 ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.75 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1026 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 1022 ' ' LEU . 33.8 t60 -74.88 -54.98 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1027 ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.46 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1028 ' ' LEU . . . . . 0.513 ' CD2' ' HB3' ' A' ' 994' ' ' ASP . 0.3 OUTLIER -59.62 -62.77 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1029 ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 933' ' ' VAL . . . -43.07 -44.95 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.9 t -69.3 -46.29 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1031 ' ' ASP . . . . . 0.675 ' OD2' HD22 ' A' ' 990' ' ' LEU . 2.0 t70 -45.99 -56.45 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 933' ' ' VAL . . . -53.93 -36.91 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1033 ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.55 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1034 ' ' ASN . . . . . 0.739 ' O ' HG23 ' A' 1038 ' ' VAL . 28.1 t30 -42.55 -39.29 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1035 ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.98 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1036 ' ' LEU . . . . . 0.914 HD11 ' CD1' ' A' ' 926' ' ' TYR . 10.0 tt -61.27 -38.38 86.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1037 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.81 -47.66 8.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1038 ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' 1034 ' ' ASN . 12.5 t -64.45 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1039 ' ' ILE . . . . . 0.831 ' CG1' HD11 ' A' ' 984' ' ' ILE . 2.1 mt -59.8 -54.09 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1040 ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.04 -44.86 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1041 ' ' GLN . . . . . 0.756 ' HA ' HD21 ' A' 1044 ' ' LEU . 4.9 mt-30 -64.46 -20.4 66.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1042 ' ' ALA . . . . . 0.77 ' HB2' ' HB ' ' A' ' 980' ' ' THR . . . -83.89 -57.69 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1043 ' ' ARG . . . . . 0.594 ' O ' HD12 ' A' 1047 ' ' ILE . 1.4 ttp180 -36.68 -44.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' 1041 ' ' GLN . 3.6 pp -68.09 -49.92 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1045 ' ' LYS . . . . . 0.634 ' N ' HD12 ' A' 1044 ' ' LEU . 15.8 mttm -39.89 -31.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1046 ' ' MET . . . . . 0.416 ' N ' ' C ' ' A' 1044 ' ' LEU . 15.3 ttp -83.88 -52.83 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1047 ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' 1043 ' ' ARG . 2.8 mt -51.97 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1048 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 74.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1049 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.12 33.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1050 ' ' SER . . . . . . . . . . . . . 5.7 t 55.55 89.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -111.3 98.63 40.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1053 ' ' HIS . . . . . . . . . . . . . 7.0 t-160 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.618 -179.966 . . . . . . . . 0 0 . 1 stop_ save_